MiMeDB: Showing metabocard for Cytidine triphosphate (MMDBc0029469)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:23:33 UTC

Update Date

2024-10-13 07:02:41 UTC

Metabolite ID

MMDBc0029469

Metabolite Identification

Common Name

Cytidine triphosphate

Description

Cytidine 5'-(tetrahydrogen triphosphate) or CTP is a cytosine nucleotide containing three phosphate groups esterified to a ribose moiety at the 5' position. CTP is integral to the synthesis or mRNA, rRNA and tRNA through RNA polymerases. Cytidine triphosphate (CTP) is also critical to the synthesis of phosphatidylcholine via the enzyme CTP: phosphocholine cytidyltransferase. This reaction is the rate-limiting step in the synthesis of phosphatidylcholine.

Structure

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


  Mrv1652308122017282D          

 29 30  0  0  1  0            999 V2000
    2.0728    0.1685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8634    0.4296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4300    0.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8321   -0.6394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4821   -0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352    1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7597    0.1478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0071   -0.6394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3168   -1.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693    0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8156    1.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0275    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156   -1.2994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4377    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6359   -0.1478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2214    1.2031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4575   -0.1478    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2790   -0.1478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4609   -0.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4609    0.6738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1040   -0.1443    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9255   -0.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074   -0.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074    0.6772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7471   -0.1410    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7505   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5687   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7505    0.6807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
  7  8  1  0  0  0  0
 12 15  1  0  0  0  0
M  END

HMDB0000082
     RDKit          3D
Cytidine triphosphate
 45 46  0  0  0  0  0  0  0  0999 V2000
   -6.8055   -2.4777   -1.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7335   -1.5573   -0.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6855   -0.4489   -1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6557    0.4492   -1.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7361    0.2339   -0.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6757    1.1763   -0.4187 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4538    0.6216   -0.7904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4889    1.3602   -0.1403 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8261    0.6395   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -0.5924    0.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1230   -1.4710    0.4544 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.7360   -2.9457    0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -1.1806   -1.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0940   -1.0378    1.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5489   -0.4324    1.1385 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.1731    0.4707    2.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472    0.3908   -0.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.7622    0.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9143   -1.2883   -0.0813 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.9331   -2.3964    0.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5867    0.1297    0.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5430   -1.1091   -1.7091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0467    1.4860    1.2565 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4793    2.6460    1.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    1.6885    0.9898 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7534    3.0815    1.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824   -0.8558    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9009   -1.0215    1.1297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7919   -1.7250    0.0686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7325   -2.1959   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6997   -3.5076   -0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4339   -0.3152   -2.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5959    1.3294   -2.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434    2.0458   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383    2.3701   -0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    0.4034   -1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6680    1.2347    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1261   -2.0174   -1.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0251    0.5034   -0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9363    0.8554    0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -0.4286   -2.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161    0.6134    1.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1431    2.3847    2.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1766    1.2225    1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913    3.4304    0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
  8 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  5 27  1  0
 27 28  2  0
 27 29  1  0
 29  2  2  0
 25  6  1  0
  1 30  1  0
  1 31  1  0
  3 32  1  0
  4 33  1  0
  6 34  1  6
  8 35  1  6
  9 36  1  0
  9 37  1  0
 13 38  1  0
 17 39  1  0
 21 40  1  0
 22 41  1  0
 23 42  1  1
 24 43  1  0
 25 44  1  1
 26 45  1  0
M  END


  Mrv1652308122017282D          

 29 30  0  0  1  0            999 V2000
    2.0728    0.1685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8634    0.4296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4300    0.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8321   -0.6394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4821   -0.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352    1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7597    0.1478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0071   -0.6394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3168   -1.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2693    0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8156    1.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0275    0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156   -1.2994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4377    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6359   -0.1478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2214    1.2031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4575   -0.1478    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2790   -0.1478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4609   -0.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4609    0.6738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1040   -0.1443    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9255   -0.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074   -0.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074    0.6772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7471   -0.1410    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7505   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5687   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7505    0.6807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
  7  8  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029469

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

> <INCHI_KEY>
PCDQPRRSZKQHHS-XVFCMESISA-N

> <FORMULA>
C9H16N3O14P3

> <MOLECULAR_WEIGHT>
483.1563

> <EXACT_MASS>
482.984511771

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
35.87464665037284

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.34

> <JCHEM_LOGP>
-4.098699917086834

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5325474649790083

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9436292779809294

> <JCHEM_PKA_STRONGEST_BASIC>
-0.07552457534039747

> <JCHEM_POLAR_SURFACE_AREA>
268.19999999999993

> <JCHEM_REFRACTIVITY>
87.16349999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.12e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
CTP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000082
     RDKit          3D
Cytidine triphosphate
 45 46  0  0  0  0  0  0  0  0999 V2000
   -6.8055   -2.4777   -1.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7335   -1.5573   -0.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6855   -0.4489   -1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6557    0.4492   -1.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7361    0.2339   -0.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6757    1.1763   -0.4187 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4538    0.6216   -0.7904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4889    1.3602   -0.1403 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8261    0.6395   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -0.5924    0.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1230   -1.4710    0.4544 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.7360   -2.9457    0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -1.1806   -1.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0940   -1.0378    1.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5489   -0.4324    1.1385 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.1731    0.4707    2.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472    0.3908   -0.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.7622    0.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9143   -1.2883   -0.0813 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.9331   -2.3964    0.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5867    0.1297    0.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5430   -1.1091   -1.7091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0467    1.4860    1.2565 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4793    2.6460    1.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    1.6885    0.9898 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7534    3.0815    1.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824   -0.8558    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9009   -1.0215    1.1297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7919   -1.7250    0.0686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7325   -2.1959   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6997   -3.5076   -0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4339   -0.3152   -2.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5959    1.3294   -2.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434    2.0458   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383    2.3701   -0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    0.4034   -1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6680    1.2347    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1261   -2.0174   -1.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0251    0.5034   -0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9363    0.8554    0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -0.4286   -2.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161    0.6134    1.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1431    2.3847    2.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1766    1.2225    1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913    3.4304    0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
  8 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  5 27  1  0
 27 28  2  0
 27 29  1  0
 29  2  2  0
 25  6  1  0
  1 30  1  0
  1 31  1  0
  3 32  1  0
  4 33  1  0
  6 34  1  6
  8 35  1  6
  9 36  1  0
  9 37  1  0
 13 38  1  0
 17 39  1  0
 21 40  1  0
 22 41  1  0
 23 42  1  1
 24 43  1  0
 25 44  1  1
 26 45  1  0
M  END

HEADER    PROTEIN                                 12-AUG-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-AUG-20         0                                  
HETATM    1  C   UNK     0       3.869   0.315   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       5.345   0.802   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0       2.669   1.200   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       3.420  -1.194   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.500  -0.225   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.666   2.303   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.418   0.276   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.880  -1.194   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.325  -2.432   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       7.969   0.257   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0       6.192  -1.732   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.122   2.798   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.051   0.751   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.962  -2.426   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.284   1.771   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.187  -0.276   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0       9.747   2.246   0.000  0.00  0.00           N+0
HETATM   18  P   UNK     0      -2.721  -0.276   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      -4.254  -0.276   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -2.727  -1.816   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -2.727   1.258   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      -5.794  -0.269   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      -7.328  -0.269   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -5.800  -1.803   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -5.800   1.264   0.000  0.00  0.00           O+0
HETATM   26  P   UNK     0      -8.861  -0.263   0.000  0.00  0.00           P+0
HETATM   27  O   UNK     0      -8.868  -1.797   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -10.395  -0.257   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -8.868   1.271   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8    9                                                  
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13    8                                                  
CONECT    8    4   14    7                                                  
CONECT    9    4                                                            
CONECT   10    5   15                                                       
CONECT   11    5                                                            
CONECT   12    6   15                                                       
CONECT   13    7   16                                                       
CONECT   14    8                                                            
CONECT   15   10   17   12                                                  
CONECT   16   13   18                                                       
CONECT   17   15                                                            
CONECT   18   16   19   20   21                                             
CONECT   19   18   22                                                       
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   19   23   24   25                                             
CONECT   23   22   26                                                       
CONECT   24   22                                                            
CONECT   25   22                                                            
CONECT   26   23   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   60    0
END

COMPND    HMDB0000082
HETATM    1  N1  UNL     1      -6.805  -2.478  -1.059  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.734  -1.557  -0.870  1.00  0.00           C  
HETATM    3  C2  UNL     1      -5.686  -0.449  -1.707  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.656   0.449  -1.537  1.00  0.00           C  
HETATM    5  N2  UNL     1      -3.736   0.234  -0.579  1.00  0.00           N  
HETATM    6  C4  UNL     1      -2.676   1.176  -0.419  1.00  0.00           C  
HETATM    7  O1  UNL     1      -1.454   0.622  -0.790  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.489   1.360  -0.140  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.826   0.639  -0.178  1.00  0.00           C  
HETATM   10  O2  UNL     1       0.686  -0.592   0.452  1.00  0.00           O  
HETATM   11  P1  UNL     1       2.123  -1.471   0.454  1.00  0.00           P  
HETATM   12  O3  UNL     1       1.736  -2.946   0.508  1.00  0.00           O  
HETATM   13  O4  UNL     1       2.903  -1.181  -1.030  1.00  0.00           O  
HETATM   14  O5  UNL     1       3.094  -1.038   1.757  1.00  0.00           O  
HETATM   15  P2  UNL     1       4.549  -0.432   1.139  1.00  0.00           P  
HETATM   16  O6  UNL     1       5.173   0.471   2.173  1.00  0.00           O  
HETATM   17  O7  UNL     1       4.247   0.391  -0.284  1.00  0.00           O  
HETATM   18  O8  UNL     1       5.536  -1.762   0.780  1.00  0.00           O  
HETATM   19  P3  UNL     1       6.914  -1.288  -0.081  1.00  0.00           P  
HETATM   20  O9  UNL     1       7.933  -2.396   0.069  1.00  0.00           O  
HETATM   21  O10 UNL     1       7.587   0.130   0.568  1.00  0.00           O  
HETATM   22  O11 UNL     1       6.543  -1.109  -1.709  1.00  0.00           O  
HETATM   23  C7  UNL     1      -1.047   1.486   1.256  1.00  0.00           C  
HETATM   24  O12 UNL     1      -0.479   2.646   1.823  1.00  0.00           O  
HETATM   25  C8  UNL     1      -2.518   1.688   0.990  1.00  0.00           C  
HETATM   26  O13 UNL     1      -2.753   3.082   1.041  1.00  0.00           O  
HETATM   27  C9  UNL     1      -3.782  -0.856   0.244  1.00  0.00           C  
HETATM   28  O14 UNL     1      -2.901  -1.021   1.130  1.00  0.00           O  
HETATM   29  N3  UNL     1      -4.792  -1.725   0.069  1.00  0.00           N  
HETATM   30  H1  UNL     1      -7.732  -2.196  -1.433  1.00  0.00           H  
HETATM   31  H2  UNL     1      -6.700  -3.508  -0.820  1.00  0.00           H  
HETATM   32  H3  UNL     1      -6.434  -0.315  -2.453  1.00  0.00           H  
HETATM   33  H4  UNL     1      -4.596   1.329  -2.183  1.00  0.00           H  
HETATM   34  H5  UNL     1      -2.843   2.046  -1.082  1.00  0.00           H  
HETATM   35  H6  UNL     1      -0.438   2.370  -0.570  1.00  0.00           H  
HETATM   36  H7  UNL     1       1.027   0.403  -1.264  1.00  0.00           H  
HETATM   37  H8  UNL     1       1.668   1.235   0.194  1.00  0.00           H  
HETATM   38  H9  UNL     1       3.126  -2.017  -1.501  1.00  0.00           H  
HETATM   39  H10 UNL     1       5.025   0.503  -0.862  1.00  0.00           H  
HETATM   40  H11 UNL     1       6.936   0.855   0.632  1.00  0.00           H  
HETATM   41  H12 UNL     1       7.159  -0.429  -2.091  1.00  0.00           H  
HETATM   42  H13 UNL     1      -0.816   0.613   1.865  1.00  0.00           H  
HETATM   43  H14 UNL     1       0.143   2.385   2.539  1.00  0.00           H  
HETATM   44  H15 UNL     1      -3.177   1.222   1.719  1.00  0.00           H  
HETATM   45  H16 UNL     1      -2.691   3.430   0.118  1.00  0.00           H  
CONECT    1    2   30   31
CONECT    2    3   29   29
CONECT    3    4    4   32
CONECT    4    5   33
CONECT    5    6   27
CONECT    6    7   25   34
CONECT    7    8
CONECT    8    9   23   35
CONECT    9   10   36   37
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   38
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   39
CONECT   18   19
CONECT   19   20   20   21   22
CONECT   21   40
CONECT   22   41
CONECT   23   24   25   42
CONECT   24   43
CONECT   25   26   44
CONECT   26   45
CONECT   27   28   28   29
END

HMDB0000082
     RDKit          3D
Cytidine triphosphate
 45 46  0  0  0  0  0  0  0  0999 V2000
   -6.8055   -2.4777   -1.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7335   -1.5573   -0.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6855   -0.4489   -1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6557    0.4492   -1.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7361    0.2339   -0.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6757    1.1763   -0.4187 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4538    0.6216   -0.7904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4889    1.3602   -0.1403 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8261    0.6395   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -0.5924    0.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1230   -1.4710    0.4544 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.7360   -2.9457    0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -1.1806   -1.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0940   -1.0378    1.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5489   -0.4324    1.1385 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.1731    0.4707    2.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472    0.3908   -0.2842 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -1.7622    0.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9143   -1.2883   -0.0813 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.9331   -2.3964    0.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5867    0.1297    0.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5430   -1.1091   -1.7091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0467    1.4860    1.2565 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4793    2.6460    1.8229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    1.6885    0.9898 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7534    3.0815    1.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824   -0.8558    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9009   -1.0215    1.1297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7919   -1.7250    0.0686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7325   -2.1959   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6997   -3.5076   -0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4339   -0.3152   -2.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5959    1.3294   -2.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8434    2.0458   -1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383    2.3701   -0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    0.4034   -1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6680    1.2347    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1261   -2.0174   -1.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0251    0.5034   -0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9363    0.8554    0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -0.4286   -2.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161    0.6134    1.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1431    2.3847    2.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1766    1.2225    1.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913    3.4304    0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
  8 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  5 27  1  0
 27 28  2  0
 27 29  1  0
 29  2  2  0
 25  6  1  0
  1 30  1  0
  1 31  1  0
  3 32  1  0
  4 33  1  0
  6 34  1  6
  8 35  1  6
  9 36  1  0
  9 37  1  0
 13 38  1  0
 17 39  1  0
 21 40  1  0
 22 41  1  0
 23 42  1  1
 24 43  1  0
 25 44  1  1
 26 45  1  0
M  END

Synonyms

Value	Source
5'-CTP	ChEBI
Cytidine 5'-triphosphate	ChEBI
CYTIDINE-5'-triphosphATE	ChEBI
H4CTP	ChEBI
Cytidine 5'-triphosphoric acid	Generator
CYTIDINE-5'-triphosphoric acid	Generator
Cytidine triphosphoric acid	Generator
5'-(Tetrahydrogen triphosphate) cytidine	HMDB
CTP	HMDB
Cytidine 3'-triphosphate	HMDB
Cytidine 5'-(tetrahydrogen triphosphate)	HMDB
Cytidine 5-prime-triphosphate	HMDB
Cytidine mono	HMDB
Cytidine mono(tetrahydrogen triphosphate) (ester)	HMDB
Deoxycytosine triphosphate	HMDB
Triphosphate, cytidine	HMDB
CRPPP	HMDB
Magnesium CTP	HMDB
MG CTP	HMDB

Molecular Formula

C₉H₁₆N₃O₁₄P₃

Average Mass

483.1563

Monoisotopic Mass

482.984511771

IUPAC Name

({[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

CTP

CAS Registry Number

65-47-4

SMILES

NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChI Key

PCDQPRRSZKQHHS-XVFCMESISA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Hydroxypyrimidine
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Alkyl phosphate
Phosphoric acid ester
Pyrimidine
Heteroaromatic compound
Tetrahydrofuran
1,2-diol
Secondary alcohol
Azacycle
Oxacycle
Organoheterocyclic compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

cytidine 5'-phosphate (CHEBI:17677 )
pyrimidine ribonucleoside 5'-triphosphate (CHEBI:17677 )
Ribonucleotides (C00063 )
Coenzymes (C00063 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	11.2 g/L	ALOGPS
logP	-0.34	ALOGPS
logP	-4.1	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	0.94	ChemAxon
pKa (Strongest Basic)	-0.076	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	268.2 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	87.16 m³·mol⁻¹	ChemAxon
Polarizability	35.87 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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	splash10-002b-8965400000-028238d320c37d90d959	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-03l3-4529211000-fc9c3bce80ab4bd56bec	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-00b9-5685900000-b067d3b0af4c194d5224	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-0a4i-0309200000-33e695326ec0d28103b4	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-057j-1926700000-417741bbe965170223c0	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 10V, negative	splash10-001i-0201900000-d0f4b76212c986ba5256	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 15V, negative	splash10-053r-0602900000-3b15e1314bb085815ee1	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 17V, negative	splash10-053r-0913800000-a9781bf9478c1556ea6f	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 20V, negative	splash10-0a59-1903500000-ca05dcfb3a7e6249de5f	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 23V, negative	splash10-0a59-1912200000-ed35edf8dd897cfb189f	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 25V, negative	splash10-0a4i-1912100000-02368a767858b532e343	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 27V, negative	splash10-0a4i-1901100000-7e158597e6539f859f18	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 30V, negative	splash10-0a4i-2901000000-e6ffe54064813cca999a	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 33V, negative	splash10-0a4i-2901000000-878ed1a77bece120cab0	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 35V, negative	splash10-0a4i-3900000000-5609836a3262551e3f22	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 40V, negative	splash10-0a6r-4900000000-25ee9e049ac582f88998	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QTOF 45V, negative	splash10-0a6r-6900000000-df141b7c324466d11ca1	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 33V, negative	splash10-001i-0109000000-e4e73cfc21a26fa84c94	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 18V, negative	splash10-001i-0100900000-1d8f337531a62dff2aef	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 23V, negative	splash10-053r-0703900000-43af4aa75af7c1b90a19	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 29V, negative	splash10-0a4i-0902200000-9cabc619fb140d01b9d7	2020-07-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0901100000-c35d289f50f6f03e2607	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-2901000000-52ceb0833c1f651ee73e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-5900000000-b2b882bb438556aea202	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-01q9-0520900000-0e5b8be0fa0c2178439b	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0bwi-9660200000-4db67ca241ce3068a27f	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9200000000-1f093b0fe69d03ecea98	2016-09-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-04	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Mitochondria
Nucleus

Biospecimen Locations

All Tissues
Cellular Cytoplasm
Feces

Tissue Locations

All Tissues

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191757	Ectonucleoside triphosphate diphosphohydrolase 1	Unknown	P49961	Homo sapiens
MMDBp0191758	Soluble calcium-activated nucleotidase 1	Unknown	Q8WVQ1	Homo sapiens
MMDBp0191759	Ectonucleoside triphosphate diphosphohydrolase 3	Unknown	O75355	Homo sapiens
MMDBp0191779	Nucleoside diphosphate kinase, mitochondrial	Unknown	O00746	Homo sapiens
MMDBp0191781	Nucleoside diphosphate kinase A	Unknown	P15531	Homo sapiens
MMDBp0191782	Nucleoside diphosphate kinase 7	Unknown	Q9Y5B8	Homo sapiens
MMDBp0191784	Nucleoside diphosphate kinase B	Unknown	P22392	Homo sapiens
MMDBp0191785	Nucleoside diphosphate kinase 3	Unknown	Q13232	Homo sapiens
MMDBp0191786	Nucleoside diphosphate kinase 6	Unknown	O75414	Homo sapiens
MMDBp0192066	N-acylneuraminate cytidylyltransferase	Enzyme	Q8NFW8	Homo sapiens
MMDBp0192097	Inosine triphosphate pyrophosphatase	Unknown	Q9BY32	Homo sapiens
MMDBp0192315	CTP synthase 1	Unknown	P17812	Homo sapiens
MMDBp0192368	Choline-phosphate cytidylyltransferase B	Enzyme	Q9Y5K3	Homo sapiens
MMDBp0192369	6-phosphofructokinase type C	Unknown	Q01813	Homo sapiens
MMDBp0192370	DNA-directed RNA polymerase III subunit RPC4	Enzyme	P05423	Homo sapiens
MMDBp0192371	DNA-directed RNA polymerase II subunit RPB2	Unknown	P30876	Homo sapiens
MMDBp0192372	Ethanolamine-phosphate cytidylyltransferase	Enzyme	Q99447	Homo sapiens
MMDBp0192373	DNA-directed RNA polymerase II subunit RPB1	Unknown	P24928	Homo sapiens
MMDBp0192374	DNA-directed RNA polymerase, mitochondrial	Enzyme	O00411	Homo sapiens
MMDBp0192375	DNA-directed RNA polymerase I subunit RPA2	Enzyme	Q9H9Y6	Homo sapiens
MMDBp0192376	DNA-directed RNA polymerase III subunit RPC7	Enzyme	O15318	Homo sapiens
MMDBp0192377	Phosphatidate cytidylyltransferase 2	Enzyme	O95674	Homo sapiens
MMDBp0192378	DNA-directed RNA polymerase III subunit RPC2	Enzyme	Q9NW08	Homo sapiens
MMDBp0192379	Choline-phosphate cytidylyltransferase A	Enzyme	P49585	Homo sapiens
MMDBp0192380	DNA-directed RNA polymerase I subunit RPA49	Enzyme	Q9GZS1	Homo sapiens
MMDBp0192381	6-phosphofructokinase, liver type	Unknown	P17858	Homo sapiens
MMDBp0192382	DNA-directed RNA polymerase III subunit RPC8	Enzyme	Q9Y535	Homo sapiens
MMDBp0192383	DNA-directed RNA polymerase III subunit RPC10	Unknown	Q9Y2Y1	Homo sapiens
MMDBp0192384	6-phosphofructokinase, muscle type	Unknown	P08237	Homo sapiens
MMDBp0192385	Pyruvate kinase isozymes M1/M2	Unknown	P14618	Homo sapiens
MMDBp0192386	Phosphatidate cytidylyltransferase 1	Unknown	Q92903	Homo sapiens
MMDBp0192387	Pyruvate kinase isozymes R/L	Unknown	P30613	Homo sapiens
MMDBp0193590	Uridine-cytidine kinase 2	Unknown	Q9BZX2	Homo sapiens
MMDBp0193763	Phosphopantothenate--cysteine ligase	Enzyme	Q9HAB8	Homo sapiens
MMDBp0193901	CAD protein	Unknown	P27708	Homo sapiens
MMDBp0193956	CTP synthase 2	Enzyme	Q9NRF8	Homo sapiens
MMDBp0194442	Ectonucleoside triphosphate diphosphohydrolase 8	Unknown	Q5MY95	Homo sapiens
MMDBp0195533	Putative nucleoside diphosphate kinase	Unknown	O60361	Homo sapiens
MMDBp0195595	CCA tRNA nucleotidyltransferase 1, mitochondrial	Unknown	Q96Q11	Homo sapiens
MMDBp0195872	Dolichol kinase	Enzyme	Q9UPQ8	Homo sapiens
MMDBp0196023	DNA-directed RNA polymerase III subunit RPC1	Enzyme	O14802	Homo sapiens
MMDBp0196024	DNA-directed RNA polymerase I subunit RPA1	Enzyme	O95602	Homo sapiens
MMDBp0196025	Zinc ribbon domain containing 1	Enzyme	Q2L6J2	Homo sapiens
MMDBp0196026	DNA-directed RNA polymerases I and III subunit RPAC2	Enzyme	Q9Y2S0	Homo sapiens
MMDBp0196027	DNA-directed RNA polymerase	Enzyme	Q7Z3R8	Homo sapiens
MMDBp0196028	DNA-directed RNA polymerase III subunit RPC7-like	Enzyme	Q9BT43	Homo sapiens
MMDBp0196029	POLR1C protein	Enzyme	Q96HT3	Homo sapiens
MMDBp0196906	Nucleoside diphosphate kinase homolog 5	Unknown	P56597
MMDBp0196944	DNA-directed RNA polymerase I subunit RPA12	Unknown	Q9P1U0
MMDBp0196945	DNA-directed RNA polymerase I subunit RPA43	Unknown	Q3B726
MMDBp0196946	DNA-directed RNA polymerases I, II, and III subunit RPABC1	Unknown	P19388
MMDBp0196947	DNA-directed RNA polymerases I, II, and III subunit RPABC2	Unknown	P61218
MMDBp0196948	DNA-directed RNA polymerases I, II, and III subunit RPABC3	Unknown	P52434
MMDBp0196949	DNA-directed RNA polymerases I, II, and III subunit RPABC4	Unknown	P53803
MMDBp0196950	DNA-directed RNA polymerases I, II, and III subunit RPABC5	Unknown	P62875
MMDBp0196951	DNA-directed RNA polymerases I and III subunit RPAC1	Unknown	O15160
MMDBp0196953	DNA-directed RNA polymerase II subunit RPB11-a	Unknown	P52435
MMDBp0196954	DNA-directed RNA polymerase II subunit RPB11-b1	Unknown	Q9GZM3
MMDBp0196955	DNA-directed RNA polymerase II subunit RPB3	Unknown	P19387
MMDBp0196956	DNA-directed RNA polymerase II subunit RPB4	Unknown	O15514
MMDBp0196957	DNA-directed RNA polymerase II subunit RPB7	Unknown	P62487
MMDBp0196958	DNA-directed RNA polymerase II subunit RPB9	Unknown	P36954
MMDBp0196959	DNA-directed RNA polymerase III subunit RPC3	Unknown	Q9BUI4
MMDBp0196960	DNA-directed RNA polymerase III subunit RPC5	Unknown	Q9NVU0
MMDBp0196961	DNA-directed RNA polymerase III subunit RPC6	Unknown	Q9H1D9

Human Pathways

Pathways

Name	SMPDB/PathBank
Cardiolipin Biosynthesis CL(a-13:0/18:2(9Z,11Z)/18:2(9Z,11Z)/18:2(9Z,11Z))
Cardiolipin Biosynthesis CL(a-13:0/18:2(9Z,11Z)/18:2(9Z,11Z)/a-13:0)
Cardiolipin Biosynthesis CL(a-13:0/18:2(9Z,11Z)/18:2(9Z,11Z)/a-15:0)
Cardiolipin Biosynthesis CL(a-13:0/18:2(9Z,11Z)/18:2(9Z,11Z)/a-17:0)
Cardiolipin Biosynthesis CL(a-13:0/18:2(9Z,11Z)/18:2(9Z,11Z)/a-21:0)

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000467	Phosphorylcholine	Citicoline	phosphate cytidylyltransferase 1, choline, alpha	VMH; KEGG	30371894
MMDBr0000506	N-Acetylneuraminic acid	Cytidine 5'-monophosphate-N-acetylneuraminic acid	Not Available	VMH	9689047
MMDBr0000507	N-Acetylneuraminic acid	Cytidine 5'-monophosphate-N-acetylneuraminic acid	cytidine monophosphate N-acetylneuraminic acid synthetase	VMH; KEGG	9689047
MMDBr0000527	Cytidine triphosphate	CMP-N-trimethyl-2-aminoethylphosphonate	phosphate cytidylyltransferase 1, choline, alpha	VMH	30371894
MMDBr0000597	Cytidine triphosphate	CDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000600	Cytidine triphosphate	CDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000602	Cytidine monophosphate	CDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000603	Cytidine monophosphate	CDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0000800	Cytidine triphosphate	CDP	Not Available	VMH	30371894
MMDBr0000801	Cytidine triphosphate	CDP	Not Available	VMH	30371894
MMDBr0000864	Ciliatine	CMP-2-aminoethylphosphonate	phosphate cytidylyltransferase 2, ethanolamine	VMH	30371894
MMDBr0001739	CDP	Cytidine triphosphate	NME/NM23 nucleoside diphosphate kinase 4	VMH; KEGG	30371894
MMDBr0001740	CDP	Cytidine triphosphate	NME/NM23 nucleoside diphosphate kinase 1	VMH; KEGG	30371894
MMDBr0001917	Cytidine triphosphate	CDP-Ethanolamine	Not Available	VMH; KEGG	30371894
MMDBr0002338	Cytidine triphosphate	CDP	Not Available	VMH	10462544 11912132
MMDBr0002339	Cytidine triphosphate	CDP	cytidine monophosphate (UMP-CMP) kinase 1, cytosolic	VMH	10462544 11912132
MMDBr0002467	Cytidine triphosphate	CDP	ectonucleoside triphosphate diphosphohydrolase 1	VMH; KEGG	30371894
MMDBr0002468	CDP	Cytidine triphosphate	Not Available	VMH	1009117 7154942
MMDBr0002620	Cytidine triphosphate	CDP	phosphofructokinase, liver	VMH	131802 1810251 193556 2987258 6091737
MMDBr0002656	Cytidine triphosphate	CMP-N-glycoloylneuraminate	cytidine monophosphate N-acetylneuraminic acid synthetase	VMH	1577759 422125 4288894 4803836 9689047
MMDBr0007290	Uridine triphosphate	Cytidine triphosphate	Not Available	VMH; KEGG	30371894
MMDBr0007291	L-Glutamine	Cytidine triphosphate	Not Available	VMH; KEGG	30371894
MMDBr0007303	Cytidine triphosphate	Uridine triphosphate	Not Available	VMH	30371894
MMDBr0007500	CDP	Cytidine triphosphate	Not Available	VMH; KEGG	30371894
MMDBr0007612	D-4'-Phosphopantothenate	4-Phosphopantothenoylcysteine	Not Available	VMH	30371894
MMDBr0007813	Cytidine triphosphate	CDPglucose	Not Available	VMH	30371894
MMDBr0008504	Cytidine triphosphate	CDP	Not Available	VMH	30371894
MMDBr0010875	Cytidine triphosphate	CDP	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
Bacteria	Proteobacteria	576	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; Cattle ; Chicken ; Rat ; Sheep ; Lion ; River trout ; Turkey ; Dog ; American dog tick	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	484	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	168	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human saliva; Human supragingival plaque; Human subgingival plaque; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	133	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human subgingival plaque; Human supragingival plaque; Human urine	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	13	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	14	Human feces; Goat ; Human	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Cyanobacteria	35	Human
Bacteria	Acidobacteria	3
Bacteria	Aquificae	2
Bacteria	Chlamydiae	10	Human ; Sheep ; Cat
Bacteria	Chlorobi	11
Bacteria	Chloroflexi	10
Bacteria	Deinococcus-thermus	5
Bacteria	Dictyoglomi	1
Bacteria	Elusimicrobia	2
Bacteria	Thermotogae	7
Bacteria	nah	1
Archaea/Archaea	Crenarchaeota	19		Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	37		Metabolic reconstruction
Bacteria	Fibrobacteres	1
Eukaryota/Fungi	Ascomycota	8	Human feces; Human saliva	Unknown
Bacteria	Gemmatimonadetes	1
Bacteria	Nitrospirae	1
Eukaryota/Fungi	Microsporidia	1
Archaea/Archaea	Thaumarchaeota	1		Metabolic reconstruction

Exposure Sources

Source Type	Species	Data Source	Reference
Animal	Laminaria	FooDB	31437929
Animal	Haliotis	FooDB	31437929
Animal	Strombidae	FooDB	31437929
Animal	Clupea harengus harengus	FooDB	31437929
Animal	Undaria pinnatifida	FooDB	31437929
Animal	Peprilus triacanthus	FooDB	31437929
Animal	Rhodophyta	FooDB	31437929
Animal	Myoxocephalus	FooDB	31437929
Animal	Eucheuma	FooDB	31437929
Animal	Saccharina japonica	FooDB	31437929
Animal	Spirulina	FooDB	31437929
Animal	Lota lota	FooDB	31437929
Animal	Porphyra umbilicalis	FooDB	31437929
Animal	Chondrus crispus	FooDB	31437929
Plant	Cajanus cajan	FooDB	31437929
Plant	Rumex articus	FooDB	31437929
Plant	Origanum majorana	FooDB	31437929
Plant	Armoracia rusticana	FooDB	31437929
Plant	Hibiscus sabdariffa	FooDB	31437929
Plant	Benincasa hispida	FooDB	31437929
Plant	Ribes aureum var. villosum	FooDB	31437929
Plant	Prunus persica	FooDB	31437929
Plant	Canarium ovatum	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Brassica oleracea var. gemmifera	FooDB	31437929
Plant	Foeniculum vulgare	FooDB	31437929
Plant	Phoenix dactylifera	FooDB	31437929
Plant	Vaccinium macrocarpon	FooDB	31437929
Plant	Arctium lappa	FooDB	31437929
Plant	Brassica oleracea var. gongylodes	FooDB	31437929
Plant		FooDB	31437929
Plant	Juglans cinerea	FooDB	31437929
Plant	Eruca vesicaria ssp. sativa	FooDB	31437929
Plant	Prunus cerasus	FooDB	31437929
Plant	Rosmarinus officinalis	FooDB	31437929
Plant	Artocarpus altilis	FooDB	31437929
Plant	Citrus x paradisi	FooDB	31437929
Plant	Metroxylon sagu	FooDB	31437929
Plant	Vigna unguiculata	FooDB	31437929
Plant	Cynara scolymus	FooDB	31437929
Plant	Cyathea	FooDB	31437929
Plant	Vitis rotundifolia	FooDB	31437929
Plant	Brosimum alicastrum	FooDB	31437929
Plant	Ficus carica	FooDB	31437929
Plant	Lentinus edodes	FooDB	31437929
Plant	Psidium cattleianum	FooDB	31437929
Plant	Beta vulgaris var. rubra	FooDB	31437929
Plant	Castanea mollissima	FooDB	31437929
Plant	Lepidium sativum	FooDB	31437929
Plant	Morus	FooDB	31437929
Plant	Vitis labrusca	FooDB	31437929
Plant	Phytolacca americana	FooDB	31437929
Plant	Grifola frondosa	FooDB	31437929
Plant	Helianthus tuberosus	FooDB	31437929
Plant	Tetragonia tetragonioides	FooDB	31437929
Plant	Artemisia vulgaris	FooDB	31437929
Plant	Cucumis metuliferus	FooDB	31437929
Plant	Myrica	FooDB	31437929
Plant	Nephelium lappaceum	FooDB	31437929
Plant	Castanea crenata	FooDB	31437929
Plant		FooDB	31437929
Plant	Corylus avellana	FooDB	31437929
Plant	Litchi chinensis	FooDB	31437929
Plant	Juglans regia	FooDB	31437929
Plant	Quercus	FooDB	31437929
Plant	Vaccinium angustifolium	FooDB	31437929
Plant	Trigonella foenum-graecum	FooDB	31437929
Plant	Malpighia emarginata	FooDB	31437929
Plant	Physalis	FooDB	31437929
Plant	Brassica oleracea var. sabauda	FooDB	31437929
Plant	Thelesperma	FooDB	31437929
Plant	Brassica napus	FooDB	31437929
Plant	Levisticum officinale	FooDB	31437929
Plant	Asparagus officinalis	FooDB	31437929
Plant	Chamerion angustifolium	FooDB	31437929
Plant	Vaccinium elliottii	FooDB	31437929
Plant	Matricaria recutita	FooDB	31437929
Plant	Pimpinella anisum	FooDB	31437929
Plant	Artemisia dracunculus	FooDB	31437929
Plant	Citrus aurantiifolia	FooDB	31437929
Plant	Ziziphus zizyphus	FooDB	31437929
Plant	Lactuca sativa	FooDB	31437929
Plant	Dimocarpus longan	FooDB	31437929
Plant	Eragrostis tef	FooDB	31437929
Plant	Salvia hispanica	FooDB	31437929
Plant	Pistacia vera	FooDB	31437929
Plant	Cynara cardunculus	FooDB	31437929
Plant	Vitellaria paradoxa	FooDB	31437929
Plant	Pangium edule	FooDB	31437929
Plant	Malus pumila	FooDB	31437929
Plant	Allium	FooDB	31437929
Plant	Brassica oleracea var. viridis	FooDB	31437929
Plant	Punica granatum	FooDB	31437929
Plant	Agave	FooDB	31437929
Plant	Hedysarum alpinum	FooDB	31437929
Plant	Diospyros	FooDB	31437929
Plant	Vigna aconitifolia	FooDB	31437929
Plant	Amaranthus	FooDB	31437929
Plant	Gossypium	FooDB	31437929
Plant		FooDB	31437929
Plant	Beta vulgaris	FooDB	31437929
Plant	Mammea americana	FooDB	31437929
Plant	Brassica alboglabra	FooDB	31437929
Plant	Apium graveolens var. dulce	FooDB	31437929
Plant	Annona squamosa	FooDB	31437929
Plant	Vitis	FooDB	31437929
Plant	Xanthosoma sagittifolium	FooDB	31437929
Plant	Basella alba	FooDB	31437929
Plant	Cucumis sativus	FooDB	31437929
Plant	Capsicum baccatum var. baccatum	FooDB	31437929
Plant	Citrus latifolia	FooDB	31437929
Plant	Carya illinoinensis	FooDB	31437929
Plant	Byrsonima crassifolia	FooDB	31437929
Plant	Capsicum pubescens	FooDB	31437929
Plant	Ribes rubrum	FooDB	31437929
Plant	Crateva religiosa	FooDB	31437929
Plant	Vitis aestivalis	FooDB	31437929
Plant	Cinnamomum aromaticum	FooDB	31437929
Plant	Eugenia javanica	FooDB	31437929
Plant		FooDB	31437929
Plant	Mentha arvensis	FooDB	31437929
Plant	Brassica rapa var. chinensis	FooDB	31437929
Plant	Vaccinium stamineum	FooDB	31437929
Plant	Pastinaca sativa	FooDB	31437929
Plant	Portulaca oleracea	FooDB	31437929
Plant	Ipomoea batatas	FooDB	31437929
Plant	Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant	Cucurbita maxima	FooDB	31437929
Plant	Chenopodium album	FooDB	31437929
Plant	Psophocarpus tetragonolobus	FooDB	31437929
Plant	Allium ampeloprasum	FooDB	31437929
Plant	Brassica oleracea	FooDB	31437929
Plant	Sechium edule	FooDB	31437929
Plant	Grataegosorbus mitschurinii	FooDB	31437929
Plant	Lactuca sativa l. var. longifolia	FooDB	31437929
Plant	Origanum x majoricum	FooDB	31437929
Plant	Diospyros virginiana	FooDB	31437929
Plant	Rubus x loganobaccus	FooDB	31437929
Plant	Tragopogon porrifolius	FooDB	31437929
Plant	Taraxacum officinale	FooDB	31437929
Plant	Rumex	FooDB	31437929
Plant	Allium ascalonicum	FooDB	31437929
Plant	Curcuma longa	FooDB	31437929
Plant	Rubus chamaemorus	FooDB	31437929
Plant	Elettaria cardamomum	FooDB	31437929
Plant	Amelanchier alnifolia	FooDB	31437929
Plant	Citrullus lanatus var. fistulosus	FooDB	31437929
Plant	Ananas comosus	FooDB	31437929
Plant	Persea americana	FooDB	31437929
Plant	Eugenia uniflora	FooDB	31437929
Plant	Annona reticulata	FooDB	31437929
Plant	Cichorium intybus	FooDB	31437929
Plant	Sesbania bispinosa	FooDB	31437929
Plant	Chenopodium quinoa	FooDB	31437929
Plant	Brassica oleracea var. botrytis	FooDB	31437929
Plant	Ribes x nidigrolaria	FooDB	31437929
Plant	Garcinia mangostana	FooDB	31437929
Plant	Cucumis melo	FooDB	31437929
Plant	Lathyrus sativus	FooDB	31437929
Plant	Dioscorea pentaphylla	FooDB	31437929
Plant	Allium tuberosum	FooDB	31437929
Plant	Corchorus olitorius	FooDB	31437929
Plant	Juglans nigra	FooDB	31437929
Plant	Cinnamomum verum	FooDB	31437929
Plant	Gaylussacia baccata	FooDB	31437929
Plant	Glycine max	FooDB	31437929
Plant	Petasites japonicus	FooDB	31437929
Plant	Prunus tomentosa	FooDB	31437929
Plant	Mentha x piperita	FooDB	31437929
Plant	Ocimum basilicum	FooDB	31437929
Plant	Maranta arundinacea	FooDB	31437929
Plant	Matteuccia struthiopteris	FooDB	31437929
Plant	Cucurbita moschata	FooDB	31437929
Plant	Macadamia	FooDB	31437929
Plant	Tilia	FooDB	31437929
Plant	Citrus limon	FooDB	31437929
Plant	Vaccinium myrtilloides	FooDB	31437929
Plant	Capsicum annuum var. annuum	FooDB	31437929
Plant	Apium graveolens var. rapaceum	FooDB	31437929
Plant	Papaver	FooDB	31437929
Plant	Rosa	FooDB	31437929
Plant	Brassica oleracea var. conica	FooDB	31437929
Plant	Nelumbo	FooDB	31437929
Plant	Sesamum orientale	FooDB	31437929
Plant	Annona cherimola	FooDB	31437929
Plant	Brassica rapa var. pekinensis	FooDB	31437929
Plant	Lippia graveolens	FooDB	31437929
Plant	Brassica rapa	FooDB	31437929
Plant	Prunus	FooDB	31437929
Plant	Capparis spinosa	FooDB	31437929
Plant	Citrus sinensis	FooDB	31437929
Plant	Lens culinaris	FooDB	31437929
Plant	Vaccinium deliciosum	FooDB	31437929
Plant	Phaseolus lunatus	FooDB	31437929
Plant	Artocarpus heterophyllus	FooDB	31437929
Plant	Prunus virginiana	FooDB	31437929
Plant	Musa acuminata	FooDB	31437929
Plant	Citrullus lanatus	FooDB	31437929
Plant	Linum usitatissimum	FooDB	31437929
Plant	Macadamia tetraphylla	FooDB	31437929
Plant	Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant	Phyllostachys edulis	FooDB	31437929
Plant	Lagenaria siceraria	FooDB	31437929
Plant	Prunus domestica	FooDB	31437929
Plant	Prunus armeniaca	FooDB	31437929
Plant	Carum carvi	FooDB	31437929
Plant	Allium schoenoprasum	FooDB	31437929
Plant	Carissa macrocarpa	FooDB	31437929
Plant	Citrus reticulata	FooDB	31437929
Plant	Satureja hortensis	FooDB	31437929
Plant	Averrhoa carambola	FooDB	31437929
Plant	Brassica rapa var. rapa	FooDB	31437929
Plant	Sorbus aucuparia	FooDB	31437929
Plant	Anethum graveolens	FooDB	31437929
Plant	Coriandrum sativum	FooDB	31437929
Plant	Nelumbo nucifera	FooDB	31437929
Plant	Bertholletia excelsa	FooDB	31437929
Plant	Brassica oleracea var. costata	FooDB	31437929
Plant	Panax	FooDB	31437929
Plant	Ceratonia siliqua	FooDB	31437929
Plant	Cymbopogon citratus	FooDB	31437929
Plant	Luffa aegyptiaca	FooDB	31437929
Plant	Rubus occidentalis	FooDB	31437929
Plant	Vigna umbellata	FooDB	31437929
Plant	Anacardium occidentale	FooDB	31437929
Plant	Carthamus tinctorius	FooDB	31437929
Plant	Cicer arietinum	FooDB	31437929
Plant	Allium fistulosum	FooDB	31437929
Plant	Capsicum	FooDB	31437929
Plant	Lupinus	FooDB	31437929
Plant	Tilia cordata	FooDB	31437929
Plant	Vaccinium alaskaense	FooDB	31437929
Plant	Prunus persica var. nucipersica	FooDB	31437929
Plant	Camellia sinensis	FooDB	31437929
Plant	Durio zibethinus	FooDB	31437929
Plant	Eriobotrya japonica	FooDB	31437929
Plant	Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant	Brassica napus var. pabularia	FooDB	31437929
Plant	Ribes glandulosum	FooDB	31437929
Plant	Oenothera biennis	FooDB	31437929
Plant	Diospyros kaki	FooDB	31437929
Plant	Verbena officinalis	FooDB	31437929
Plant	Virola surinamensis	FooDB	31437929
Plant	Vaccinium oxycoccos	FooDB	31437929
Plant	Theobroma cacao	FooDB	31437929
Plant	Phaseolus vulgaris	FooDB	31437929
Plant	Rumex acetosa	FooDB	31437929
Plant	Daucus carota ssp. sativus	FooDB	31437929
Plant	Vaccinium parvifolium	FooDB	31437929
Plant	Syzygium aromaticum	FooDB	31437929
Plant	Aloysia triphylla	FooDB	31437929
Plant	Pyrus pyrifolia	FooDB	31437929
Plant	Vaccinium myrtillus	FooDB	31437929
Plant	Capsicum chinense	FooDB	31437929
Plant	Brassica oleracea var. capitata	FooDB	31437929
Plant	Vicia faba	FooDB	31437929
Plant	Vaccinium reticulatum	FooDB	31437929
Plant	Solanum quitoense	FooDB	31437929
Plant	Ginkgo biloba	FooDB	31437929
Plant	Theobroma grandiflorum	FooDB	31437929
Plant	Satureja montana	FooDB	31437929
Plant	Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant	Flammulina velutipes	FooDB	31437929
Plant		FooDB	31437929
Plant	Vitis vinifera	FooDB	31437929
Plant	Citrus japonica	FooDB	31437929
Plant	Prunus avium	FooDB	31437929
Plant	Perideridia oregana	FooDB	31437929
Plant	Vaccinium arboreum	FooDB	31437929
Plant	Pouteria sapota	FooDB	31437929
Plant	Wasabia japonica	FooDB	31437929
Plant	Origanum onites	FooDB	31437929
Plant	Piper nigrum	FooDB	31437929
Plant	Capsicum annuum	FooDB	31437929
Plant	Origanum vulgare	FooDB	31437929
Plant	Viburnum edule	FooDB	31437929
Plant	Dioscorea	FooDB	31437929
Plant	Brassica oleracea var. italica	FooDB	31437929
Plant	Vaccinium uliginosum	FooDB	31437929
Plant	Momordica charantia	FooDB	31437929
Plant	Castanea	FooDB	31437929
Plant	Rubus ursinus x idaeus	FooDB	31437929
Plant	Pleurotus ostreatus	FooDB	31437929
Plant	Cirsium	FooDB	31437929
Plant	Solanum melongena	FooDB	31437929
Plant	Raphanus sativus var. sativus	FooDB	31437929
Plant	Prunus persica var. persica	FooDB	31437929
Plant	Opuntia	FooDB	31437929
Plant	Colocasia esculenta	FooDB	31437929
Plant	Anthriscus cerefolium	FooDB	31437929
Plant	Nuphar lutea	FooDB	31437929
Plant	Myristica fragrans	FooDB	31437929
Plant	Pachyrhizus erosus	FooDB	31437929
Plant	Lupinus albus	FooDB	31437929
Plant	Cichorium endivia	FooDB	31437929
Plant	Apium graveolens	FooDB	31437929
Plant	Elaeis	FooDB	31437929
Plant	Ribes uva-crispa	FooDB	31437929
Plant	Raphanus sativus var. niger	FooDB	31437929
Plant	Feijoa sellowiana	FooDB	31437929
Plant	Dysphania ambrosioides	FooDB	31437929
Plant	Cinnamomum	FooDB	31437929
Plant	Photinia melanocarpa	FooDB	31437929
Plant	Salvia officinalis	FooDB	31437929
Plant	Rheum rhabarbarum	FooDB	31437929
Plant	Vaccinium	FooDB	31437929
Plant	Lablab purpureus	FooDB	31437929
Plant	Crocus sativus	FooDB	31437929
Plant	Citrus maxima	FooDB	31437929
Plant	Syzygium jambos	FooDB	31437929
Plant	Salix pulchra	FooDB	31437929
Plant	Castanea sativa	FooDB	31437929
Plant	Cydonia oblonga	FooDB	31437929
Plant	Annona muricata	FooDB	31437929
Plant	Fagus	FooDB	31437929
Plant	Cucurbita	FooDB	31437929
Plant	Opuntia cochenillifera	FooDB	31437929
Plant	Vaccinium ovatum	FooDB	31437929
Plant	Cocos nucifera	FooDB	31437929
Plant	Thymus pulegioides	FooDB	31437929
Plant	Phaseolus coccineus	FooDB	31437929
Plant	Mespilus germanica	FooDB	31437929
Plant	Tamarindus indica	FooDB	31437929
Plant	Brassica rapa var. perviridis	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Mentha aquatica	FooDB	31437929
Plant	Salvia elegans	FooDB	31437929
Plant	Mentha	FooDB	31437929
Plant	Sagittaria latifolia	FooDB	31437929
Plant	Olea europaea	FooDB	31437929
Plant	Sambucus	FooDB	31437929
Plant	Pinus	FooDB	31437929
Plant	Psidium guajava	FooDB	31437929
Plant	Solanum tuberosum	FooDB	31437929
Plant	Syzygium cumini	FooDB	31437929
Plant	Tilia tomentosa	FooDB	31437929
Plant	Typha angustifolia	FooDB	31437929
Plant	Empetrum nigrum	FooDB	31437929
Plant	Myrica rubra	FooDB	31437929
Plant	Daucus carota	FooDB	31437929
Plant	Valerianella locusta	FooDB	31437929
Plant	Vaccinium vitis-idaea	FooDB	31437929
Plant	Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant	Sisymbrium	FooDB	31437929
Plant	Vanilla	FooDB	31437929
Plant	Carya	FooDB	31437929
Plant	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant	Physalis philadelphica var. immaculata	FooDB	31437929
Plant	Hyssopus officinalis	FooDB	31437929
Plant	Borago officinalis	FooDB	31437929
Plant	Raphanus sativus	FooDB	31437929
Plant	Prunus dulcis	FooDB	31437929
Plant	Manihot esculenta	FooDB	31437929
Plant	Beta vulgaris ssp. cicla	FooDB	31437929
Plant	Scorzonera hispanica	FooDB	31437929
Plant	Vigna radiata	FooDB	31437929
Plant	Angelica keiskei	FooDB	31437929
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant	Ipomoea aquatica	FooDB	31437929
Plant	Musa x paradisiaca	FooDB	31437929
Plant	Cuminum cyminum	FooDB	31437929
Plant	Rubus spectabilis	FooDB	31437929
Plant	Allium sativum	FooDB	31437929
Plant	Rubus idaeus	FooDB	31437929
Plant	Arachis hypogaea	FooDB	31437929
Plant	Cantharellus cibarius	FooDB	31437929
Plant	Sinapis alba	FooDB	31437929
Plant	Fragaria x ananassa	FooDB	31437929
Plant	Pyrus communis	FooDB	31437929
Plant	Brassica ruvo	FooDB	31437929
Plant	Apium graveolens var. secalinum	FooDB	31437929
Plant	Morus nigra	FooDB	31437929
Plant	Abelmoschus esculentus	FooDB	31437929
Plant	Moringa oleifera	FooDB	31437929
Plant	Solanum lycopersicum	FooDB	31437929
Plant	Pinus edulis	FooDB	31437929
Plant	Passiflora edulis	FooDB	31437929
Plant	Opuntia macrorhiza	FooDB	31437929
Plant	Vigna angularis	FooDB	31437929
Plant	Manilkara zapota	FooDB	31437929
Plant	Cucurbita pepo var. clypeata	FooDB	31437929
Plant	Mentha spicata	FooDB	31437929
Plant	Helianthus annuus	FooDB	31437929
Plant	Allium cepa	FooDB	31437929
Plant	Corylus	FooDB	31437929
Plant	Malus	FooDB	31437929
Plant	Sambucus nigra	FooDB	31437929
Plant	Juglans	FooDB	31437929
Plant	Pisum sativum	FooDB	31437929
Plant	Mangifera indica	FooDB	31437929
Plant	Petroselinum crispum	FooDB	31437929
Plant	Ribes nigrum	FooDB	31437929
Plant	Zingiber officinale	FooDB	31437929
Plant	Illicium verum	FooDB	31437929
Plant	Chamaemelum nobile	FooDB	31437929
Plant		FooDB	31437929
Plant	Laurus nobilis	FooDB	31437929
Plant	Auricularia auricula-judae	FooDB	31437929
Plant	Attalea speciosa	FooDB	31437929
Plant	Juglans ailanthifolia	FooDB	31437929
Plant	Melissa officinalis	FooDB	31437929
Plant	Hippophae rhamnoides	FooDB	31437929
Plant	Polygonum alpinum	FooDB	31437929
Plant	Brassica juncea	FooDB	31437929
Plant	Pediomelum esculentum	FooDB	31437929
Plant	Auricularia polytricha	FooDB	31437929
Plant	Spinacia oleracea	FooDB	31437929
Plant	Camellia oleifera	FooDB	31437929
Plant	Vaccinium corymbosum	FooDB	31437929
Plant	Chrysanthemum coronarium	FooDB	31437929
Plant	Eleocharis dulcis	FooDB	31437929
Plant	Thymus vulgaris	FooDB	31437929
Plant	Actinidia chinensis	FooDB	31437929
Plant	Carica papaya	FooDB	31437929
Plant	Pimenta dioica	FooDB	31437929
Plant	Rubus arcticus	FooDB	31437929
Plant	Medicago sativa	FooDB	31437929
Plant	Vigna mungo	FooDB	31437929
Plant	Agaricus bisporus	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified						HMDB
Human Cellular cytoplasm	Detected and Quantified	10	uM	Adult (>18 years old)	Both	Normal	HMDB	4025817
Human Cellular cytoplasm	Detected and Quantified	15	uM	Adult (>18 years old)	Both	Normal	HMDB	4025817
Human Cellular cytoplasm	Detected and Quantified	23	uM	Adult (>18 years old)	Both	Normal	HMDB	4025817
Human Cellular cytoplasm	Detected and Quantified	28	uM	Adult (>18 years old)	Both	Normal	HMDB	4025817
Human All tissues	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0000082

DrugBank ID

DB02431

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Cytidine triphosphate

METLIN ID

5136

PubChem Compound

6176

PDB ID

Not Available

ChEBI ID

17677

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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Showing metabocard for Cytidine triphosphate (MMDBc0029469)

MOL for #<Metabolite:0x00007f46c0ed8b78>

3D MOL for #<Metabolite:0x00007f46c0ed8b78>

3D SDF for #<Metabolite:0x00007f46c0ed8b78>

3D-SDF for #<Metabolite:0x00007f46c0ed8b78>

PDB for #<Metabolite:0x00007f46c0ed8b78>

3D PDB for #<Metabolite:0x00007f46c0ed8b78>

SMILES for #<Metabolite:0x00007f46c0ed8b78>

INCHI for #<Metabolite:0x00007f46c0ed8b78>

Structure for #<Metabolite:0x00007f46c0ed8b78>

3D Structure for #<Metabolite:0x00007f46c0ed8b78>