MiMeDB: Showing metabocard for 2-trans,6-trans,10-trans-Geranylgeranyl diphosphate (MMDBc0032969)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:29:20 UTC

Update Date

2024-10-13 12:28:11 UTC

Metabolite ID

MMDBc0032969

Metabolite Identification

Common Name

2-trans,6-trans,10-trans-Geranylgeranyl diphosphate

Description

2-trans,6-trans,10-trans-geranylgeranyl diphosphate, also known as geranylgeranyl pyrophosphate, geranylgeranyl-PP or GGPP, is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. This compound belongs to the family of acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle. Thus, GGPP is considered to be an isoprenoid lipid molecule. GGPP is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309042000302D          

 29 28  0  0  0  0            999 V2000
10002.8771 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1622 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.5920 9998.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.4474 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.3070 9999.0628    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10000.7304 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4474 9999.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.0219 9998.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.8931 9999.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.7187 9999.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.0154 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.7368 9999.0628    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3015 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.3231 9999.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.4558 9998.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.1485 9999.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5858 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8701 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5858 9999.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1565 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4408 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7251 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.0114 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7251 9999.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2958 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5821 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8664 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.1507 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8664 9999.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END

HMDB0004486
     RDKit          3D
Geranylgeranyl-PP
 65 64  0  0  0  0  0  0  0  0999 V2000
   -7.9051    1.4874    3.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7453    1.3171    1.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9154    1.4670    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5514    1.0334    1.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    0.8883    2.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7344   -0.4355    2.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1721   -0.9580    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9913   -1.2795   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -1.1896    0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334   -1.7064   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1019   -0.6651   -0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061   -1.1073   -1.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386   -1.4087   -3.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237   -1.2275   -1.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -1.6606   -2.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416   -0.6468   -3.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8232   -0.1343   -2.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783    0.6836   -1.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426   -0.3487   -2.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016    0.1024   -1.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8213    0.7988   -0.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1153    1.2589    0.5203 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.8616    2.6389    1.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5565    1.2329   -0.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    0.1299    1.7571 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8925    0.1312    2.3645 P   0  0  0  0  0  5  0  0  0  0  0  0
    9.4292   -1.2844    2.1786 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8285    0.5308    4.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8464    1.2673    1.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9701    1.6940    3.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3309    2.3720    3.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6345    0.5635    3.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7834    1.8798    1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7487    2.1253    0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2608    0.4880    0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4804    0.9313    0.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6317    1.6702    1.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7485    1.1040    3.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8977   -0.3353    3.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4229   -1.1833    2.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6519   -2.1999   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9245   -0.4564   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0584   -1.3632    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520   -0.9731    1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271   -2.5855    0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7054   -2.0774   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404   -0.4207    0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    0.3008   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5508   -0.7811   -3.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -1.1942   -3.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666   -2.4924   -3.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378   -1.0191   -0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956   -2.5486   -2.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837   -2.0190   -3.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2957    0.2814   -3.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835   -1.0974   -4.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970    0.9840   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9100    1.6833   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4473    0.1670   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3759   -0.9234   -3.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7220   -0.8352   -1.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0207    0.6328   -2.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6201    0.3175   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9243    0.8656    4.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2344    1.9413    2.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  5 37  1  0
  5 38  1  0
  6 39  1  0
  6 40  1  0
  8 41  1  0
  8 42  1  0
  8 43  1  0
  9 44  1  0
 10 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 13 49  1  0
 13 50  1  0
 13 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 18 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 20 61  1  0
 20 62  1  0
 24 63  1  0
 28 64  1  0
 29 65  1  0
M  END


  Mrv1652309042000302D          

 29 28  0  0  0  0            999 V2000
10002.8771 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1622 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.5920 9998.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.4474 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.3070 9999.0628    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10000.7304 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4474 9999.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.0219 9998.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.8931 9999.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.7187 9999.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.0154 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.7368 9999.0628    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3015 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.3231 9999.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.4558 9998.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.1485 9999.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5858 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8701 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5858 9999.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1565 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4408 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7251 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.0114 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7251 9999.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2958 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5821 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8664 9999.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.1507 9998.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8664 9999.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0032969

> <DATABASE_NAME>
MIME

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+

> <INCHI_KEY>
OINNEUNVOZHBOX-QIRCYJPOSA-N

> <FORMULA>
C20H36O7P2

> <MOLECULAR_WEIGHT>
450.4432

> <EXACT_MASS>
450.19362653

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
47.8204807988394

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
{[hydroxy({[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy})phosphoryl]oxy}phosphonic acid

> <ALOGPS_LOGP>
3.57

> <JCHEM_LOGP>
5.276447335666666

> <ALOGPS_LOGS>
-4.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.2043406094078315

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7672186885241006

> <JCHEM_POLAR_SURFACE_AREA>
113.28999999999999

> <JCHEM_REFRACTIVITY>
120.5331

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.63e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
geranylgeranyl diphosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0004486
     RDKit          3D
Geranylgeranyl-PP
 65 64  0  0  0  0  0  0  0  0999 V2000
   -7.9051    1.4874    3.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7453    1.3171    1.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9154    1.4670    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5514    1.0334    1.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    0.8883    2.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7344   -0.4355    2.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1721   -0.9580    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9913   -1.2795   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -1.1896    0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334   -1.7064   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1019   -0.6651   -0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061   -1.1073   -1.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386   -1.4087   -3.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237   -1.2275   -1.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -1.6606   -2.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416   -0.6468   -3.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8232   -0.1343   -2.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783    0.6836   -1.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426   -0.3487   -2.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016    0.1024   -1.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8213    0.7988   -0.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1153    1.2589    0.5203 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.8616    2.6389    1.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5565    1.2329   -0.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    0.1299    1.7571 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8925    0.1312    2.3645 P   0  0  0  0  0  5  0  0  0  0  0  0
    9.4292   -1.2844    2.1786 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8285    0.5308    4.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8464    1.2673    1.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9701    1.6940    3.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3309    2.3720    3.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6345    0.5635    3.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7834    1.8798    1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7487    2.1253    0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2608    0.4880    0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4804    0.9313    0.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6317    1.6702    1.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7485    1.1040    3.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8977   -0.3353    3.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4229   -1.1833    2.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6519   -2.1999   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9245   -0.4564   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0584   -1.3632    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520   -0.9731    1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271   -2.5855    0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7054   -2.0774   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404   -0.4207    0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    0.3008   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5508   -0.7811   -3.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -1.1942   -3.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666   -2.4924   -3.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378   -1.0191   -0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956   -2.5486   -2.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837   -2.0190   -3.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2957    0.2814   -3.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835   -1.0974   -4.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970    0.9840   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9100    1.6833   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4473    0.1670   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3759   -0.9234   -3.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7220   -0.8352   -1.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0207    0.6328   -2.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6201    0.3175   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9243    0.8656    4.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2344    1.9413    2.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  5 37  1  0
  5 38  1  0
  6 39  1  0
  6 40  1  0
  8 41  1  0
  8 42  1  0
  8 43  1  0
  9 44  1  0
 10 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 13 49  1  0
 13 50  1  0
 13 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 18 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 20 61  1  0
 20 62  1  0
 24 63  1  0
 28 64  1  0
 29 65  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0    8672.0378664.917   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8670.7038664.149   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8673.3728664.149   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0    8669.3688664.917   0.000  0.00  0.00           C+0
HETATM    5  P   UNK     0    8674.7068664.917   0.000  0.00  0.00           P+0
HETATM    6  C   UNK     0    8668.0308664.149   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8669.3688666.457   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8676.0418664.149   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8673.9348666.252   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8675.4758666.252   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    8666.6958664.917   0.000  0.00  0.00           C+0
HETATM   12  P   UNK     0    8677.3758664.917   0.000  0.00  0.00           P+0
HETATM   13  C   UNK     0    8665.3638664.149   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0    8676.6038666.252   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8678.7178664.145   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8678.1448666.252   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0    8664.0278664.917   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8662.6918664.149   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8664.0278666.457   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8661.3598664.917   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8660.0238664.149   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8658.6878664.917   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8657.3558664.149   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8658.6878666.457   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8656.0198664.917   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8654.6878664.149   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8653.3518664.917   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8652.0158664.149   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8653.3518666.457   0.000  0.00  0.00           C+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    6    7                                                  
CONECT    5    3    8    9   10                                             
CONECT    6    4   11                                                       
CONECT    7    4                                                            
CONECT    8    5   12                                                       
CONECT    9    5                                                            
CONECT   10    5                                                            
CONECT   11    6   13                                                       
CONECT   12    8   14   15   16                                             
CONECT   13   11   17                                                       
CONECT   14   12                                                            
CONECT   15   12                                                            
CONECT   16   12                                                            
CONECT   17   13   18   19                                                  
CONECT   18   17   20                                                       
CONECT   19   17                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22   25                                                       
CONECT   24   22                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   56    0
END

COMPND    HMDB0004486
HETATM    1  C1  UNL     1      -7.905   1.487   3.257  1.00  0.00           C  
HETATM    2  C2  UNL     1      -7.745   1.317   1.794  1.00  0.00           C  
HETATM    3  C3  UNL     1      -8.915   1.467   0.915  1.00  0.00           C  
HETATM    4  C4  UNL     1      -6.551   1.033   1.308  1.00  0.00           C  
HETATM    5  C5  UNL     1      -5.402   0.888   2.196  1.00  0.00           C  
HETATM    6  C6  UNL     1      -4.734  -0.435   2.248  1.00  0.00           C  
HETATM    7  C7  UNL     1      -4.172  -0.958   1.005  1.00  0.00           C  
HETATM    8  C8  UNL     1      -4.991  -1.279  -0.178  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.866  -1.190   0.920  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.133  -1.706  -0.235  1.00  0.00           C  
HETATM   11  C11 UNL     1      -1.102  -0.665  -0.625  1.00  0.00           C  
HETATM   12  C12 UNL     1      -0.306  -1.107  -1.796  1.00  0.00           C  
HETATM   13  C13 UNL     1      -0.939  -1.409  -3.099  1.00  0.00           C  
HETATM   14  C14 UNL     1       1.024  -1.227  -1.637  1.00  0.00           C  
HETATM   15  C15 UNL     1       1.871  -1.661  -2.756  1.00  0.00           C  
HETATM   16  C16 UNL     1       2.842  -0.647  -3.268  1.00  0.00           C  
HETATM   17  C17 UNL     1       3.823  -0.134  -2.281  1.00  0.00           C  
HETATM   18  C18 UNL     1       3.378   0.684  -1.142  1.00  0.00           C  
HETATM   19  C19 UNL     1       5.143  -0.349  -2.443  1.00  0.00           C  
HETATM   20  C20 UNL     1       6.202   0.102  -1.540  1.00  0.00           C  
HETATM   21  O1  UNL     1       5.821   0.799  -0.432  1.00  0.00           O  
HETATM   22  P1  UNL     1       7.115   1.259   0.520  1.00  0.00           P  
HETATM   23  O2  UNL     1       6.862   2.639   1.069  1.00  0.00           O  
HETATM   24  O3  UNL     1       8.557   1.233  -0.401  1.00  0.00           O  
HETATM   25  O4  UNL     1       7.309   0.130   1.757  1.00  0.00           O  
HETATM   26  P2  UNL     1       8.892   0.131   2.364  1.00  0.00           P  
HETATM   27  O5  UNL     1       9.429  -1.284   2.179  1.00  0.00           O  
HETATM   28  O6  UNL     1       8.829   0.531   4.020  1.00  0.00           O  
HETATM   29  O7  UNL     1       9.846   1.267   1.585  1.00  0.00           O  
HETATM   30  H1  UNL     1      -8.970   1.694   3.524  1.00  0.00           H  
HETATM   31  H2  UNL     1      -7.331   2.372   3.639  1.00  0.00           H  
HETATM   32  H3  UNL     1      -7.634   0.563   3.817  1.00  0.00           H  
HETATM   33  H4  UNL     1      -9.783   1.880   1.479  1.00  0.00           H  
HETATM   34  H5  UNL     1      -8.749   2.125   0.057  1.00  0.00           H  
HETATM   35  H6  UNL     1      -9.261   0.488   0.503  1.00  0.00           H  
HETATM   36  H7  UNL     1      -6.480   0.931   0.228  1.00  0.00           H  
HETATM   37  H8  UNL     1      -4.632   1.670   1.984  1.00  0.00           H  
HETATM   38  H9  UNL     1      -5.749   1.104   3.253  1.00  0.00           H  
HETATM   39  H10 UNL     1      -3.898  -0.335   3.002  1.00  0.00           H  
HETATM   40  H11 UNL     1      -5.423  -1.183   2.744  1.00  0.00           H  
HETATM   41  H12 UNL     1      -4.652  -2.200  -0.702  1.00  0.00           H  
HETATM   42  H13 UNL     1      -4.925  -0.456  -0.910  1.00  0.00           H  
HETATM   43  H14 UNL     1      -6.058  -1.363   0.126  1.00  0.00           H  
HETATM   44  H15 UNL     1      -2.252  -0.973   1.811  1.00  0.00           H  
HETATM   45  H16 UNL     1      -1.527  -2.585   0.137  1.00  0.00           H  
HETATM   46  H17 UNL     1      -2.705  -2.077  -1.073  1.00  0.00           H  
HETATM   47  H18 UNL     1      -0.440  -0.421   0.228  1.00  0.00           H  
HETATM   48  H19 UNL     1      -1.617   0.301  -0.886  1.00  0.00           H  
HETATM   49  H20 UNL     1      -0.551  -0.781  -3.926  1.00  0.00           H  
HETATM   50  H21 UNL     1      -2.024  -1.194  -3.025  1.00  0.00           H  
HETATM   51  H22 UNL     1      -0.867  -2.492  -3.369  1.00  0.00           H  
HETATM   52  H23 UNL     1       1.438  -1.019  -0.650  1.00  0.00           H  
HETATM   53  H24 UNL     1       2.496  -2.549  -2.413  1.00  0.00           H  
HETATM   54  H25 UNL     1       1.184  -2.019  -3.575  1.00  0.00           H  
HETATM   55  H26 UNL     1       2.296   0.281  -3.630  1.00  0.00           H  
HETATM   56  H27 UNL     1       3.384  -1.097  -4.142  1.00  0.00           H  
HETATM   57  H28 UNL     1       2.297   0.984  -1.287  1.00  0.00           H  
HETATM   58  H29 UNL     1       3.910   1.683  -1.143  1.00  0.00           H  
HETATM   59  H30 UNL     1       3.447   0.167  -0.182  1.00  0.00           H  
HETATM   60  H31 UNL     1       5.376  -0.923  -3.362  1.00  0.00           H  
HETATM   61  H32 UNL     1       6.722  -0.835  -1.168  1.00  0.00           H  
HETATM   62  H33 UNL     1       7.021   0.633  -2.092  1.00  0.00           H  
HETATM   63  H34 UNL     1       8.620   0.318  -0.780  1.00  0.00           H  
HETATM   64  H35 UNL     1       7.924   0.866   4.257  1.00  0.00           H  
HETATM   65  H36 UNL     1      10.234   1.941   2.222  1.00  0.00           H  
CONECT    1    2   30   31   32
CONECT    2    3    4    4
CONECT    3   33   34   35
CONECT    4    5   36
CONECT    5    6   37   38
CONECT    6    7   39   40
CONECT    7    8    9    9
CONECT    8   41   42   43
CONECT    9   10   44
CONECT   10   11   45   46
CONECT   11   12   47   48
CONECT   12   13   14   14
CONECT   13   49   50   51
CONECT   14   15   52
CONECT   15   16   53   54
CONECT   16   17   55   56
CONECT   17   18   19   19
CONECT   18   57   58   59
CONECT   19   20   60
CONECT   20   21   61   62
CONECT   21   22
CONECT   22   23   23   24   25
CONECT   24   63
CONECT   25   26
CONECT   26   27   27   28   29
CONECT   28   64
CONECT   29   65
END

HMDB0004486
     RDKit          3D
Geranylgeranyl-PP
 65 64  0  0  0  0  0  0  0  0999 V2000
   -7.9051    1.4874    3.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7453    1.3171    1.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9154    1.4670    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5514    1.0334    1.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4015    0.8883    2.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7344   -0.4355    2.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1721   -0.9580    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9913   -1.2795   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -1.1896    0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334   -1.7064   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1019   -0.6651   -0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3061   -1.1073   -1.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386   -1.4087   -3.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237   -1.2275   -1.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8706   -1.6606   -2.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416   -0.6468   -3.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8232   -0.1343   -2.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783    0.6836   -1.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426   -0.3487   -2.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016    0.1024   -1.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8213    0.7988   -0.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1153    1.2589    0.5203 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.8616    2.6389    1.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5565    1.2329   -0.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    0.1299    1.7571 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8925    0.1312    2.3645 P   0  0  0  0  0  5  0  0  0  0  0  0
    9.4292   -1.2844    2.1786 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8285    0.5308    4.0203 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8464    1.2673    1.5850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9701    1.6940    3.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3309    2.3720    3.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6345    0.5635    3.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7834    1.8798    1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7487    2.1253    0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2608    0.4880    0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4804    0.9313    0.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6317    1.6702    1.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7485    1.1040    3.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8977   -0.3353    3.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4229   -1.1833    2.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6519   -2.1999   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9245   -0.4564   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0584   -1.3632    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520   -0.9731    1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271   -2.5855    0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7054   -2.0774   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404   -0.4207    0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    0.3008   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5508   -0.7811   -3.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236   -1.1942   -3.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666   -2.4924   -3.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378   -1.0191   -0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956   -2.5486   -2.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837   -2.0190   -3.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2957    0.2814   -3.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835   -1.0974   -4.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970    0.9840   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9100    1.6833   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4473    0.1670   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3759   -0.9234   -3.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7220   -0.8352   -1.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0207    0.6328   -2.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6201    0.3175   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9243    0.8656    4.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2344    1.9413    2.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  5 37  1  0
  5 38  1  0
  6 39  1  0
  6 40  1  0
  8 41  1  0
  8 42  1  0
  8 43  1  0
  9 44  1  0
 10 45  1  0
 10 46  1  0
 11 47  1  0
 11 48  1  0
 13 49  1  0
 13 50  1  0
 13 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 18 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 20 61  1  0
 20 62  1  0
 24 63  1  0
 28 64  1  0
 29 65  1  0
M  END

Synonyms

Value	Source
all-trans-Geranylgeranyl diphosphate	ChEBI
all-trans-Geranylgeranyl pyrophosphate	ChEBI
Geranylgeranyl diphosphate	ChEBI
Geranylgeranyl pyrophosphate	ChEBI
GGDP	ChEBI
(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl diphosphate	Kegg
all-trans-Geranylgeranyl diphosphoric acid	Generator
all-trans-Geranylgeranyl pyrophosphoric acid	Generator
Geranylgeranyl diphosphoric acid	Generator
Geranylgeranyl pyrophosphoric acid	Generator
(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl diphosphoric acid	Generator
2-trans,6-trans,10-trans-Geranylgeranyl diphosphate	HMDB
3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl diphosphate	HMDB
all-trans-Geranyl-geranyl-PP	HMDB
Geranylgeranyl-diphosphate	HMDB
Geranylgeraniol diphosphate	HMDB
Geranylgeranyl pyrophosphate, (Z,e,e)-isomer	HMDB
Nerylneryl diphosphate	HMDB
GGPP Diphosphate	HMDB
Geranylgeranyl pyrophosphate, 14C-labeled, (e,e,e)-isomer	HMDB
GGPP CPD	HMDB

Molecular Formula

C₂₀H₃₆O₇P₂

Average Mass

450.4432

Monoisotopic Mass

450.19362653

IUPAC Name

{[hydroxy({[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy})phosphoryl]oxy}phosphonic acid

Traditional Name

geranylgeranyl diphosphate

CAS Registry Number

6699-20-3

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O

InChI Identifier

InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+

InChI Key

OINNEUNVOZHBOX-QIRCYJPOSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Acyclic diterpenoids

Alternative Parents

Substituents

Acyclic diterpenoid
Organic pyrophosphate
Isoprenoid phosphate
Monoalkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

geranylgeranyl diphosphate (CHEBI:48861 )
Acyclic diterpenoids (C00353 )
Linear diterpenes (C00353 )
Acyclic diterpenoids (LMPR0104010001 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.0046 g/L	ALOGPS
logP	3.57	ALOGPS
logP	5.28	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	113.29 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	120.53 m³·mol⁻¹	ChemAxon
Polarizability	47.82 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-00p1-8966200000-998d239f267a150b43ed	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 11V, negative	splash10-0002-0000900000-e7c9a733fcef12117c3d	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 15V, negative	splash10-0002-1000900000-51a8d5ce498d65e79691	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 19V, negative	splash10-004j-9000800000-4beea4fd2eb20ffa4ad9	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 26V, negative	splash10-004i-9000000000-4db0a53ff36e5e4b9935	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 31V, negative	splash10-004i-9000000000-cf199ce4e78be9534fb7	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 37V, negative	splash10-004i-9000000000-7867ab9db012f87e43c8	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 44V, negative	splash10-004i-9000000000-be17e3662a7647d871aa	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 52V, negative	splash10-004i-9000000000-1f4ff46767d08f6c4824	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 60V, negative	splash10-004i-9000000000-d99bb72e9136380d8698	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 72V, negative	splash10-004i-9000000000-d99bb72e9136380d8698	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-001i-0300900000-fecb2380f7e0ec863abc	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-0a4i-0900000000-dc954ce23ecf1a263189	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-0a4i-0900000000-8ab5606bd668c2535e4d	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 31V, negative	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0fk9-1394600000-c6d91e9bfb5eeb46563e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-3592000000-c8aa1820057f6139aad8	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00xs-5690000000-5fa48d769648b6310c2d	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0400900000-86700e111b6b2b0215c0	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-057i-7900100000-c5c0d2a89df8d138cebb	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-0ec0eed3d4d479d9c002	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-1214900000-f698165f4dfead7c9d55	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-1189100000-6a265357a808fdf96bf8	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-05s1-3910000000-59003e6f3766239ee38a	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0000900000-582b037b919c4a7e747f	2021-09-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192549	Geranylgeranyl pyrophosphate synthase	Enzyme	O95749	Homo sapiens
MMDBp0193285	Geranylgeranyl transferase type-1 subunit beta	Unknown	P53609	Homo sapiens
MMDBp0193286	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Enzyme	P49354	Homo sapiens
MMDBp0196923	Geranylgeranyl transferase type-2 subunit alpha	Unknown	Q92696
MMDBp0196924	Geranylgeranyl transferase type-2 subunit beta	Unknown	P53611

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0004747	Dimethylallylpyrophosphate	2-trans,6-trans,10-trans-Geranylgeranyl diphosphate	Not Available	VMH	9054372 9741684
MMDBr0007409	Farnesyl pyrophosphate	2-trans,6-trans,10-trans-Geranylgeranyl diphosphate	Not Available	VMH	30371894
MMDBr0007426	2-trans,6-trans,10-trans-Geranylgeranyl diphosphate	all-trans-pentaprenyl diphosphate	Not Available	VMH	30371894
MMDBr0008098	2-trans,6-trans,10-trans-Geranylgeranyl diphosphate	Prephytoene diphosphate	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	3	Human feces; Human saliva	Unknown
Bacteria	Firmicutes	346	Human feces; Human pleural fluid plaque; Pig ; Human ; Human urine; Human mucosa; Human sputum; Human saliva; Human supragingival plaque; Cattle ; Human stool; Human subgingival plaque	Metabolic reconstruction
Bacteria	Proteobacteria	136	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal	Metabolic reconstruction
Bacteria	Actinobacteria	87	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	48	Human feces; Human appendix biopsy; Human ; Human supragingival plaque; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	19	Human feces; Human	Metabolic reconstruction
Bacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	nah	1
Archaea/Archaea	Crenarchaeota	4		Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	15		Metabolic reconstruction

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Laminaria	FooDB	Manually Annotated
Animal	Haliotis	FooDB	Manually Annotated
Animal	Strombidae	FooDB	Manually Annotated
Animal	Clupea harengus harengus	FooDB	Manually Annotated
Animal	Undaria pinnatifida	FooDB	Manually Annotated
Animal	Peprilus triacanthus	FooDB	Manually Annotated
Animal	Rhodophyta	FooDB	Manually Annotated
Animal	Myoxocephalus	FooDB	Manually Annotated
Animal	Eucheuma	FooDB	Manually Annotated
Animal	Saccharina japonica	FooDB	Manually Annotated
Animal	Spirulina	FooDB	Manually Annotated
Animal	Lota lota	FooDB	Manually Annotated
Animal	Porphyra umbilicalis	FooDB	Manually Annotated
Animal	Chondrus crispus	FooDB	Manually Annotated
Plant	Prunus cerasus	FooDB	Manually Annotated
Plant	Artocarpus altilis	FooDB	Manually Annotated
Plant	Eruca vesicaria ssp. sativa	FooDB	Manually Annotated
Plant	Citrus x paradisi	FooDB	Manually Annotated
Plant	Rosmarinus officinalis	FooDB	Manually Annotated
Plant	Cynara scolymus	FooDB	Manually Annotated
Plant	Vigna unguiculata	FooDB	Manually Annotated
Plant	Ficus carica	FooDB	Manually Annotated
Plant	Lentinus edodes	FooDB	Manually Annotated
Plant	Cyathea	FooDB	Manually Annotated
Plant	Metroxylon sagu	FooDB	Manually Annotated
Plant	Vitis rotundifolia	FooDB	Manually Annotated
Plant	Brosimum alicastrum	FooDB	Manually Annotated
Plant	Psidium cattleianum	FooDB	Manually Annotated
Plant	Beta vulgaris var. rubra	FooDB	Manually Annotated
Plant	Lepidium sativum	FooDB	Manually Annotated
Plant	Castanea mollissima	FooDB	Manually Annotated
Plant	Helianthus tuberosus	FooDB	Manually Annotated
Plant	Morus	FooDB	Manually Annotated
Plant	Grifola frondosa	FooDB	Manually Annotated
Plant	Phytolacca americana	FooDB	Manually Annotated
Plant	Vitis labrusca	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Artemisia vulgaris	FooDB	Manually Annotated
Plant	Tetragonia tetragonioides	FooDB	Manually Annotated
Plant	Cucumis metuliferus	FooDB	Manually Annotated
Plant	Nephelium lappaceum	FooDB	Manually Annotated
Plant	Myrica	FooDB	Manually Annotated
Plant	Corylus avellana	FooDB	Manually Annotated
Plant	Castanea crenata	FooDB	Manually Annotated
Plant	Litchi chinensis	FooDB	Manually Annotated
Plant	Juglans regia	FooDB	Manually Annotated
Plant	Quercus	FooDB	Manually Annotated
Plant	Trigonella foenum-graecum	FooDB	Manually Annotated
Plant	Vaccinium angustifolium	FooDB	Manually Annotated
Plant	Physalis	FooDB	Manually Annotated
Plant	Malpighia emarginata	FooDB	Manually Annotated
Plant	Brassica oleracea var. sabauda	FooDB	Manually Annotated
Plant	Brassica napus	FooDB	Manually Annotated
Plant	Thelesperma	FooDB	Manually Annotated
Plant	Asparagus officinalis	FooDB	Manually Annotated
Plant	Chamerion angustifolium	FooDB	Manually Annotated
Plant	Levisticum officinale	FooDB	Manually Annotated
Plant	Pimpinella anisum	FooDB	Manually Annotated
Plant	Citrus aurantiifolia	FooDB	Manually Annotated
Plant	Lactuca sativa	FooDB	Manually Annotated
Plant	Vaccinium elliottii	FooDB	Manually Annotated
Plant	Artemisia dracunculus	FooDB	Manually Annotated
Plant	Matricaria recutita	FooDB	Manually Annotated
Plant	Ziziphus zizyphus	FooDB	Manually Annotated
Plant	Dimocarpus longan	FooDB	Manually Annotated
Plant	Eragrostis tef	FooDB	Manually Annotated
Plant	Salvia hispanica	FooDB	Manually Annotated
Plant	Pistacia vera	FooDB	Manually Annotated
Plant	Malus pumila	FooDB	Manually Annotated
Plant	Vitellaria paradoxa	FooDB	Manually Annotated
Plant	Pangium edule	FooDB	Manually Annotated
Plant	Cynara cardunculus	FooDB	Manually Annotated
Plant	Allium	FooDB	Manually Annotated
Plant	Brassica oleracea var. viridis	FooDB	Manually Annotated
Plant	Punica granatum	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Agave	FooDB	Manually Annotated
Plant	Diospyros	FooDB	Manually Annotated
Plant	Hedysarum alpinum	FooDB	Manually Annotated
Plant	Gossypium	FooDB	Manually Annotated
Plant	Vigna aconitifolia	FooDB	Manually Annotated
Plant	Amaranthus	FooDB	Manually Annotated
Plant	Beta vulgaris	FooDB	Manually Annotated
Plant	Mammea americana	FooDB	Manually Annotated
Plant	Annona squamosa	FooDB	Manually Annotated
Plant	Cucumis sativus	FooDB	Manually Annotated
Plant	Brassica alboglabra	FooDB	Manually Annotated
Plant	Vitis	FooDB	Manually Annotated
Plant	Apium graveolens var. dulce	FooDB	Manually Annotated
Plant	Xanthosoma sagittifolium	FooDB	Manually Annotated
Plant	Basella alba	FooDB	Manually Annotated
Plant	Carya illinoinensis	FooDB	Manually Annotated
Plant	Citrus latifolia	FooDB	Manually Annotated
Plant	Capsicum baccatum var. baccatum	FooDB	Manually Annotated
Plant	Byrsonima crassifolia	FooDB	Manually Annotated
Plant	Ribes rubrum	FooDB	Manually Annotated
Plant	Cinnamomum aromaticum	FooDB	Manually Annotated
Plant	Capsicum pubescens	FooDB	Manually Annotated
Plant	Crateva religiosa	FooDB	Manually Annotated
Plant	Brassica rapa var. chinensis	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Portulaca oleracea	FooDB	Manually Annotated
Plant	Ipomoea batatas	FooDB	Manually Annotated
Plant	Mentha arvensis	FooDB	Manually Annotated
Plant	Vitis aestivalis	FooDB	Manually Annotated
Plant	Eugenia javanica	FooDB	Manually Annotated
Plant	Pastinaca sativa	FooDB	Manually Annotated
Plant	Cucurbita maxima	FooDB	Manually Annotated
Plant	Chenopodium album	FooDB	Manually Annotated
Plant	Psophocarpus tetragonolobus	FooDB	Manually Annotated
Plant	Vaccinium stamineum	FooDB	Manually Annotated
Plant	Solanum lycopersicum var. cerasiforme	FooDB	Manually Annotated
Plant	Allium ampeloprasum	FooDB	Manually Annotated
Plant	Brassica oleracea	FooDB	Manually Annotated
Plant	Sechium edule	FooDB	Manually Annotated
Plant	Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant	Grataegosorbus mitschurinii	FooDB	Manually Annotated
Plant	Diospyros virginiana	FooDB	Manually Annotated
Plant	Origanum x majoricum	FooDB	Manually Annotated
Plant	Rubus x loganobaccus	FooDB	Manually Annotated
Plant	Taraxacum officinale	FooDB	Manually Annotated
Plant	Tragopogon porrifolius	FooDB	Manually Annotated
Plant	Rumex	FooDB	Manually Annotated
Plant	Allium ascalonicum	FooDB	Manually Annotated
Plant	Curcuma longa	FooDB	Manually Annotated
Plant	Ananas comosus	FooDB	Manually Annotated
Plant	Rubus chamaemorus	FooDB	Manually Annotated
Plant	Persea americana	FooDB	Manually Annotated
Plant	Elettaria cardamomum	FooDB	Manually Annotated
Plant	Citrullus lanatus var. fistulosus	FooDB	Manually Annotated
Plant	Amelanchier alnifolia	FooDB	Manually Annotated
Plant	Eugenia uniflora	FooDB	Manually Annotated
Plant	Annona reticulata	FooDB	Manually Annotated
Plant	Cichorium intybus	FooDB	Manually Annotated
Plant	Sesbania bispinosa	FooDB	Manually Annotated
Plant	Brassica oleracea var. botrytis	FooDB	Manually Annotated
Plant	Chenopodium quinoa	FooDB	Manually Annotated
Plant	Cucumis melo	FooDB	Manually Annotated
Plant	Ribes x nidigrolaria	FooDB	Manually Annotated
Plant	Garcinia mangostana	FooDB	Manually Annotated
Plant	Corchorus olitorius	FooDB	Manually Annotated
Plant	Juglans nigra	FooDB	Manually Annotated
Plant	Glycine max	FooDB	Manually Annotated
Plant	Dioscorea pentaphylla	FooDB	Manually Annotated
Plant	Cinnamomum verum	FooDB	Manually Annotated
Plant	Lathyrus sativus	FooDB	Manually Annotated
Plant	Allium tuberosum	FooDB	Manually Annotated
Plant	Petasites japonicus	FooDB	Manually Annotated
Plant	Gaylussacia baccata	FooDB	Manually Annotated
Plant	Prunus tomentosa	FooDB	Manually Annotated
Plant	Mentha x piperita	FooDB	Manually Annotated
Plant	Ocimum basilicum	FooDB	Manually Annotated
Plant	Maranta arundinacea	FooDB	Manually Annotated
Plant	Matteuccia struthiopteris	FooDB	Manually Annotated
Plant	Cucurbita moschata	FooDB	Manually Annotated
Plant	Citrus limon	FooDB	Manually Annotated
Plant	Macadamia	FooDB	Manually Annotated
Plant	Tilia	FooDB	Manually Annotated
Plant	Apium graveolens var. rapaceum	FooDB	Manually Annotated
Plant	Papaver	FooDB	Manually Annotated
Plant	Vaccinium myrtilloides	FooDB	Manually Annotated
Plant	Rosa	FooDB	Manually Annotated
Plant	Capsicum annuum var. annuum	FooDB	Manually Annotated
Plant	Sesamum orientale	FooDB	Manually Annotated
Plant	Nelumbo	FooDB	Manually Annotated
Plant	Brassica oleracea var. conica	FooDB	Manually Annotated
Plant	Annona cherimola	FooDB	Manually Annotated
Plant	Brassica rapa var. pekinensis	FooDB	Manually Annotated
Plant	Brassica rapa	FooDB	Manually Annotated
Plant	Lippia graveolens	FooDB	Manually Annotated
Plant	Prunus	FooDB	Manually Annotated
Plant	Citrus sinensis	FooDB	Manually Annotated
Plant	Capparis spinosa	FooDB	Manually Annotated
Plant	Lens culinaris	FooDB	Manually Annotated
Plant	Vaccinium deliciosum	FooDB	Manually Annotated
Plant	Phaseolus lunatus	FooDB	Manually Annotated
Plant	Artocarpus heterophyllus	FooDB	Manually Annotated
Plant	Prunus virginiana	FooDB	Manually Annotated
Plant	Linum usitatissimum	FooDB	Manually Annotated
Plant	Musa acuminata	FooDB	Manually Annotated
Plant	Citrullus lanatus	FooDB	Manually Annotated
Plant	Vigna unguiculata ssp. unguiculata	FooDB	Manually Annotated
Plant	Macadamia tetraphylla	FooDB	Manually Annotated
Plant	Prunus domestica	FooDB	Manually Annotated
Plant	Prunus armeniaca	FooDB	Manually Annotated
Plant	Phyllostachys edulis	FooDB	Manually Annotated
Plant	Lagenaria siceraria	FooDB	Manually Annotated
Plant	Carum carvi	FooDB	Manually Annotated
Plant	Allium schoenoprasum	FooDB	Manually Annotated
Plant	Citrus reticulata	FooDB	Manually Annotated
Plant	Carissa macrocarpa	FooDB	Manually Annotated
Plant	Averrhoa carambola	FooDB	Manually Annotated
Plant	Satureja hortensis	FooDB	Manually Annotated
Plant	Brassica rapa var. rapa	FooDB	Manually Annotated
Plant	Anethum graveolens	FooDB	Manually Annotated
Plant	Sorbus aucuparia	FooDB	Manually Annotated
Plant	Coriandrum sativum	FooDB	Manually Annotated
Plant	Nelumbo nucifera	FooDB	Manually Annotated
Plant	Bertholletia excelsa	FooDB	Manually Annotated
Plant	Cymbopogon citratus	FooDB	Manually Annotated
Plant	Brassica oleracea var. costata	FooDB	Manually Annotated
Plant	Panax	FooDB	Manually Annotated
Plant	Ceratonia siliqua	FooDB	Manually Annotated
Plant	Luffa aegyptiaca	FooDB	Manually Annotated
Plant	Anacardium occidentale	FooDB	Manually Annotated
Plant	Carthamus tinctorius	FooDB	Manually Annotated
Plant	Cicer arietinum	FooDB	Manually Annotated
Plant	Rubus occidentalis	FooDB	Manually Annotated
Plant	Vigna umbellata	FooDB	Manually Annotated
Plant	Camellia sinensis	FooDB	Manually Annotated
Plant	Allium fistulosum	FooDB	Manually Annotated
Plant	Capsicum	FooDB	Manually Annotated
Plant	Vaccinium alaskaense	FooDB	Manually Annotated
Plant	Solanum lycopersicum var. lycopersicum	FooDB	Manually Annotated
Plant	Lupinus	FooDB	Manually Annotated
Plant	Tilia cordata	FooDB	Manually Annotated
Plant	Prunus persica var. nucipersica	FooDB	Manually Annotated
Plant	Eriobotrya japonica	FooDB	Manually Annotated
Plant	Durio zibethinus	FooDB	Manually Annotated
Plant	Brassica napus var. pabularia	FooDB	Manually Annotated
Plant	Phaseolus vulgaris	FooDB	Manually Annotated
Plant	Oenothera biennis	FooDB	Manually Annotated
Plant	Diospyros kaki	FooDB	Manually Annotated
Plant	Ribes glandulosum	FooDB	Manually Annotated
Plant	Theobroma cacao	FooDB	Manually Annotated
Plant	Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant	Virola surinamensis	FooDB	Manually Annotated
Plant	Verbena officinalis	FooDB	Manually Annotated
Plant	Rumex acetosa	FooDB	Manually Annotated
Plant	Vaccinium oxycoccos	FooDB	Manually Annotated
Plant	Vaccinium myrtillus	FooDB	Manually Annotated
Plant	Brassica oleracea var. capitata	FooDB	Manually Annotated
Plant	Syzygium aromaticum	FooDB	Manually Annotated
Plant	Pyrus pyrifolia	FooDB	Manually Annotated
Plant	Vicia faba	FooDB	Manually Annotated
Plant	Vaccinium parvifolium	FooDB	Manually Annotated
Plant	Aloysia triphylla	FooDB	Manually Annotated
Plant	Capsicum chinense	FooDB	Manually Annotated
Plant	Theobroma grandiflorum	FooDB	Manually Annotated
Plant	Vaccinium reticulatum	FooDB	Manually Annotated
Plant	Solanum quitoense	FooDB	Manually Annotated
Plant	Ginkgo biloba	FooDB	Manually Annotated
Plant	Vigna unguiculata ssp. cylindrica	FooDB	Manually Annotated
Plant	Flammulina velutipes	FooDB	Manually Annotated
Plant	Satureja montana	FooDB	Manually Annotated
Plant	Citrus japonica	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Vitis vinifera	FooDB	Manually Annotated
Plant	Prunus avium	FooDB	Manually Annotated
Plant	Perideridia oregana	FooDB	Manually Annotated
Plant	Capsicum annuum	FooDB	Manually Annotated
Plant	Vaccinium arboreum	FooDB	Manually Annotated
Plant	Pouteria sapota	FooDB	Manually Annotated
Plant	Wasabia japonica	FooDB	Manually Annotated
Plant	Piper nigrum	FooDB	Manually Annotated
Plant	Origanum onites	FooDB	Manually Annotated
Plant	Origanum vulgare	FooDB	Manually Annotated
Plant	Viburnum edule	FooDB	Manually Annotated
Plant	Dioscorea	FooDB	Manually Annotated
Plant	Momordica charantia	FooDB	Manually Annotated
Plant	Brassica oleracea var. italica	FooDB	Manually Annotated
Plant	Vaccinium uliginosum	FooDB	Manually Annotated
Plant	Castanea	FooDB	Manually Annotated
Plant	Rubus ursinus x idaeus	FooDB	Manually Annotated
Plant	Solanum melongena	FooDB	Manually Annotated
Plant	Cirsium	FooDB	Manually Annotated
Plant	Pleurotus ostreatus	FooDB	Manually Annotated
Plant	Opuntia	FooDB	Manually Annotated
Plant	Anthriscus cerefolium	FooDB	Manually Annotated
Plant	Raphanus sativus var. sativus	FooDB	Manually Annotated
Plant	Colocasia esculenta	FooDB	Manually Annotated
Plant	Prunus persica var. persica	FooDB	Manually Annotated
Plant	Myristica fragrans	FooDB	Manually Annotated
Plant	Nuphar lutea	FooDB	Manually Annotated
Plant	Lupinus albus	FooDB	Manually Annotated
Plant	Pachyrhizus erosus	FooDB	Manually Annotated
Plant	Cichorium endivia	FooDB	Manually Annotated
Plant	Apium graveolens	FooDB	Manually Annotated
Plant	Elaeis	FooDB	Manually Annotated
Plant	Cinnamomum	FooDB	Manually Annotated
Plant	Ribes uva-crispa	FooDB	Manually Annotated
Plant	Feijoa sellowiana	FooDB	Manually Annotated
Plant	Dysphania ambrosioides	FooDB	Manually Annotated
Plant	Raphanus sativus var. niger	FooDB	Manually Annotated
Plant	Photinia melanocarpa	FooDB	Manually Annotated
Plant	Salvia officinalis	FooDB	Manually Annotated
Plant	Rheum rhabarbarum	FooDB	Manually Annotated
Plant	Vaccinium	FooDB	Manually Annotated
Plant	Lablab purpureus	FooDB	Manually Annotated
Plant	Crocus sativus	FooDB	Manually Annotated
Plant	Cydonia oblonga	FooDB	Manually Annotated
Plant	Citrus maxima	FooDB	Manually Annotated
Plant	Syzygium jambos	FooDB	Manually Annotated
Plant	Annona muricata	FooDB	Manually Annotated
Plant	Salix pulchra	FooDB	Manually Annotated
Plant	Castanea sativa	FooDB	Manually Annotated
Plant	Cucurbita	FooDB	Manually Annotated
Plant	Fagus	FooDB	Manually Annotated
Plant	Opuntia cochenillifera	FooDB	Manually Annotated
Plant	Vaccinium ovatum	FooDB	Manually Annotated
Plant	Cocos nucifera	FooDB	Manually Annotated
Plant	Tamarindus indica	FooDB	Manually Annotated
Plant	Phaseolus coccineus	FooDB	Manually Annotated
Plant	Thymus pulegioides	FooDB	Manually Annotated
Plant	Mespilus germanica	FooDB	Manually Annotated
Plant	Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant	Brassica rapa var. perviridis	FooDB	Manually Annotated
Plant	Mentha aquatica	FooDB	Manually Annotated
Plant	Salvia elegans	FooDB	Manually Annotated
Plant	Mentha	FooDB	Manually Annotated
Plant	Solanum tuberosum	FooDB	Manually Annotated
Plant	Psidium guajava	FooDB	Manually Annotated
Plant	Sagittaria latifolia	FooDB	Manually Annotated
Plant	Olea europaea	FooDB	Manually Annotated
Plant	Sambucus	FooDB	Manually Annotated
Plant	Pinus	FooDB	Manually Annotated
Plant	Syzygium cumini	FooDB	Manually Annotated
Plant	Tilia tomentosa	FooDB	Manually Annotated
Plant	Daucus carota	FooDB	Manually Annotated
Plant	Typha angustifolia	FooDB	Manually Annotated
Plant	Vaccinium vitis-idaea	FooDB	Manually Annotated
Plant	Empetrum nigrum	FooDB	Manually Annotated
Plant	Valerianella locusta	FooDB	Manually Annotated
Plant	Myrica rubra	FooDB	Manually Annotated
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	Manually Annotated
Plant	Sisymbrium	FooDB	Manually Annotated
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	Manually Annotated
Plant	Vanilla	FooDB	Manually Annotated
Plant	Raphanus sativus	FooDB	Manually Annotated
Plant	Vigna radiata	FooDB	Manually Annotated
Plant	Carya	FooDB	Manually Annotated
Plant	Prunus dulcis	FooDB	Manually Annotated
Plant	Manihot esculenta	FooDB	Manually Annotated
Plant	Physalis philadelphica var. immaculata	FooDB	Manually Annotated
Plant	Borago officinalis	FooDB	Manually Annotated
Plant	Hyssopus officinalis	FooDB	Manually Annotated
Plant	Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant	Scorzonera hispanica	FooDB	Manually Annotated
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	Manually Annotated
Plant	Angelica keiskei	FooDB	Manually Annotated
Plant	Ipomoea aquatica	FooDB	Manually Annotated
Plant	Musa x paradisiaca	FooDB	Manually Annotated
Plant	Cuminum cyminum	FooDB	Manually Annotated
Plant	Rubus spectabilis	FooDB	Manually Annotated
Plant	Allium sativum	FooDB	Manually Annotated
Plant	Arachis hypogaea	FooDB	Manually Annotated
Plant	Rubus idaeus	FooDB	Manually Annotated
Plant	Cantharellus cibarius	FooDB	Manually Annotated
Plant	Fragaria x ananassa	FooDB	Manually Annotated
Plant	Pyrus communis	FooDB	Manually Annotated
Plant	Sinapis alba	FooDB	Manually Annotated
Plant	Apium graveolens var. secalinum	FooDB	Manually Annotated
Plant	Brassica ruvo	FooDB	Manually Annotated
Plant	Morus nigra	FooDB	Manually Annotated
Plant	Solanum lycopersicum	FooDB	Manually Annotated
Plant	Abelmoschus esculentus	FooDB	Manually Annotated
Plant	Moringa oleifera	FooDB	Manually Annotated
Plant	Pinus edulis	FooDB	Manually Annotated
Plant	Passiflora edulis	FooDB	Manually Annotated
Plant	Vigna angularis	FooDB	Manually Annotated
Plant	Helianthus annuus	FooDB	Manually Annotated
Plant	Opuntia macrorhiza	FooDB	Manually Annotated
Plant	Mentha spicata	FooDB	Manually Annotated
Plant	Cucurbita pepo var. clypeata	FooDB	Manually Annotated
Plant	Manilkara zapota	FooDB	Manually Annotated
Plant	Pisum sativum	FooDB	Manually Annotated
Plant	Corylus	FooDB	Manually Annotated
Plant	Malus	FooDB	Manually Annotated
Plant	Juglans	FooDB	Manually Annotated
Plant	Zingiber officinale	FooDB	Manually Annotated
Plant	Petroselinum crispum	FooDB	Manually Annotated
Plant	Sambucus nigra	FooDB	Manually Annotated
Plant	Allium cepa	FooDB	Manually Annotated
Plant	Ribes nigrum	FooDB	Manually Annotated
Plant	Mangifera indica	FooDB	Manually Annotated
Plant	Illicium verum	FooDB	Manually Annotated
Plant	Chamaemelum nobile	FooDB	Manually Annotated
Plant	Laurus nobilis	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Auricularia auricula-judae	FooDB	Manually Annotated
Plant	Attalea speciosa	FooDB	Manually Annotated
Plant	Juglans ailanthifolia	FooDB	Manually Annotated
Plant	Melissa officinalis	FooDB	Manually Annotated
Plant	Hippophae rhamnoides	FooDB	Manually Annotated
Plant	Spinacia oleracea	FooDB	Manually Annotated
Plant	Polygonum alpinum	FooDB	Manually Annotated
Plant	Brassica juncea	FooDB	Manually Annotated
Plant	Pediomelum esculentum	FooDB	Manually Annotated
Plant	Auricularia polytricha	FooDB	Manually Annotated
Plant	Camellia oleifera	FooDB	Manually Annotated
Plant	Carica papaya	FooDB	Manually Annotated
Plant	Vaccinium corymbosum	FooDB	Manually Annotated
Plant	Actinidia chinensis	FooDB	Manually Annotated
Plant	Chrysanthemum coronarium	FooDB	Manually Annotated
Plant	Eleocharis dulcis	FooDB	Manually Annotated
Plant	Thymus vulgaris	FooDB	Manually Annotated
Plant	Medicago sativa	FooDB	Manually Annotated
Plant	Vigna mungo	FooDB	Manually Annotated
Plant	Pimenta dioica	FooDB	Manually Annotated
Plant	Rubus arcticus	FooDB	Manually Annotated
Plant	Agaricus bisporus	FooDB	Manually Annotated
Plant	Cajanus cajan	FooDB	Manually Annotated
Plant	Origanum majorana	FooDB	Manually Annotated
Plant	Rumex articus	FooDB	Manually Annotated
Plant	Armoracia rusticana	FooDB	Manually Annotated
Plant	Prunus persica	FooDB	Manually Annotated
Plant	Hibiscus sabdariffa	FooDB	Manually Annotated
Plant	Benincasa hispida	FooDB	Manually Annotated
Plant	Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant	Canarium ovatum	FooDB	Manually Annotated
Plant	Ribes aureum var. villosum	FooDB	Manually Annotated
Plant		FooDB	Manually Annotated
Plant	Brassica oleracea var. gemmifera	FooDB	Manually Annotated
Plant	Foeniculum vulgare	FooDB	Manually Annotated
Plant	Brassica oleracea var. gongylodes	FooDB	Manually Annotated
Plant	Phoenix dactylifera	FooDB	Manually Annotated
Plant	Vaccinium macrocarpon	FooDB	Manually Annotated
Plant	Arctium lappa	FooDB	Manually Annotated
Plant	Juglans cinerea	FooDB	Manually Annotated

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

HMDB0004486

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

447277

PDB ID

GRG

ChEBI ID

48861

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Denis M, Bissonnette R, Haidar B, Krimbou L, Bouvier M, Genest J: Expression, regulation, and activity of ABCA1 in human cell lines. Mol Genet Metab. 2003 Apr;78(4):265-74. doi: 10.1016/s1096-7192(03)00020-9. [PubMed:12706378 ]
Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]

Showing metabocard for 2-trans,6-trans,10-trans-Geranylgeranyl diphosphate (MMDBc0032969)

MOL for #<Metabolite:0x00007fdb10c1ec40>

3D MOL for #<Metabolite:0x00007fdb10c1ec40>

3D SDF for #<Metabolite:0x00007fdb10c1ec40>

3D-SDF for #<Metabolite:0x00007fdb10c1ec40>

PDB for #<Metabolite:0x00007fdb10c1ec40>

3D PDB for #<Metabolite:0x00007fdb10c1ec40>

SMILES for #<Metabolite:0x00007fdb10c1ec40>

INCHI for #<Metabolite:0x00007fdb10c1ec40>

Structure for #<Metabolite:0x00007fdb10c1ec40>

3D Structure for #<Metabolite:0x00007fdb10c1ec40>