MiMeDB: Showing metabocard for beta-D-Fructose 1,6-bisphosphate (MMDBc0030043)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:51:46 UTC

Update Date

2024-04-20 06:11:57 UTC

Metabolite ID

MMDBc0030043

Metabolite Identification

Common Name

beta-D-Fructose 1,6-bisphosphate

Description

Beta-D-fructose 1,6-bisphosphate is a member of the chemical class known as Pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. The hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate is a key reaction of carbohydrate metabolism. (PMID 3008716 ) Fructose-1,6-bisphosphate (F-1,6-P2) is an allosteric activator of two key enzymes of glycolysis: phosphofructokinase and pyruvate kinase. (PMID 18025560 ) In gluconeogenesis, fructose 6-phosphate is formed from fructose 1,6-bisphosphate, and if fructose 1,6-bisphosphate were reformed by the phosphofructokinase reaction there would be a "gluconeogenic futile cycle". (PMID 6217196 ) Fructose-1,6-bisphosphate (FBP) aldolase is an essential glycolytic enzyme that reversibly cleaves its ketohexose substrate into triose phosphates. (PMID 14699122 ) Fructose 1-phosphate is a metabolite that plays a regulatory role in metabolism and is best measured using an assay based on its conversion to fructose 1,6-bisphosphate by a bacterial fructose-1-phosphate kinase (Fru1PK). (PMID 10833389 ) For growth, the assimilated fructose is sequentially phosphorylated by ATP and (i) manno(fructo)kinase, to form fructose 6-phosphate, and (ii) phosphofructokinase, to form fructose 1,6-bisphosphate, which is a member of central routes of glycolysis and gluconeogenesis. (PMID 17159144 )

Structure

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

HMDB0001058
     RDKit          3D
Fructose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8067    2.0343   -0.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781    1.2133    0.4186 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.9426    0.6167   -0.6654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5925    2.1544    1.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9342   -0.0231    1.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -0.9483    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718   -1.2396    0.4617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2250   -0.1382    0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784    0.0419   -0.1216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9493    1.4158   -0.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -0.5065    0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995   -0.0058   -0.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.1170    0.2223 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.7097    2.5389   -0.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925    0.9852    1.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220    0.9066   -0.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.5490   -1.3962 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7436    0.3061   -1.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -1.7753   -0.8497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3945   -2.8241   -0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    1.4239   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493    2.9066    1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -1.9030    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6761   -0.6322   -0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746   -1.9874    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.4885   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3126   -0.1577    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -1.6034    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5188    0.2811    2.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8957    0.0425   -0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148   -0.7919   -2.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    1.2337   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -2.1069   -1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -3.5141   -1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  9 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  7  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  1
 10 26  1  0
 11 27  1  0
 11 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  6
 18 32  1  0
 19 33  1  6
 20 34  1  0
M  END


  Mrv1652309042000172D          

 20 20  0  0  0  0            999 V2000
10001.388910000.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.104110000.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.821310000.5774    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10002.405810001.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.536410000.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.232610001.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.3042 9999.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8763 9998.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0837 9998.7234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.615910000.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.897910000.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.181710000.5774    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9997.596110001.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.463510000.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.769410001.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.997810000.6597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.330410000.1747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.5853 9999.3901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.4103 9999.3901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.665210000.1747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
  1 20  1  0  0  0  0
 20  7  1  1  0  0  0
 17 10  1  1  0  0  0
 18  9  1  6  0  0  0
 19  8  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0030043

> <DATABASE_NAME>
MIME

> <SMILES>
O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1

> <INCHI_KEY>
RNBGYGVWRKECFJ-ARQDHWQXSA-N

> <FORMULA>
C6H14O12P2

> <MOLECULAR_WEIGHT>
340.1157

> <EXACT_MASS>
339.996048936

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
25.7026361336695

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-1.51

> <JCHEM_LOGP>
-3.0051313806666666

> <ALOGPS_LOGS>
-1.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.4935700215596834

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8894221949103738

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686727898823656

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
58.10660000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.61e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001058
     RDKit          3D
Fructose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8067    2.0343   -0.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781    1.2133    0.4186 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.9426    0.6167   -0.6654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5925    2.1544    1.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9342   -0.0231    1.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -0.9483    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718   -1.2396    0.4617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2250   -0.1382    0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784    0.0419   -0.1216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9493    1.4158   -0.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -0.5065    0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995   -0.0058   -0.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.1170    0.2223 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.7097    2.5389   -0.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925    0.9852    1.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220    0.9066   -0.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.5490   -1.3962 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7436    0.3061   -1.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -1.7753   -0.8497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3945   -2.8241   -0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    1.4239   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493    2.9066    1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -1.9030    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6761   -0.6322   -0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746   -1.9874    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.4885   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3126   -0.1577    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -1.6034    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5188    0.2811    2.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8957    0.0425   -0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148   -0.7919   -2.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    1.2337   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -2.1069   -1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -3.5141   -1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  9 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  7  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  1
 10 26  1  0
 11 27  1  0
 11 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  6
 18 32  1  0
 19 33  1  6
 20 34  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    8669.2598667.744   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8670.5948666.977   0.000  0.00  0.00           O+0
HETATM    3  P   UNK     0    8671.9338667.744   0.000  0.00  0.00           P+0
HETATM    4  O   UNK     0    8671.1578669.083   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8673.2688666.977   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8672.7018669.083   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8669.1018665.984   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8668.3028664.269   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8664.9568664.284   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0    8664.0838667.744   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8662.7438666.977   0.000  0.00  0.00           O+0
HETATM   12  P   UNK     0    8661.4068667.744   0.000  0.00  0.00           P+0
HETATM   13  O   UNK     0    8662.1798669.083   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8660.0658666.973   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8660.6368669.083   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8666.6638667.898   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0    8665.4178666.993   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8665.8938665.528   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8667.4338665.528   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8667.9088666.993   0.000  0.00  0.00           C+0
CONECT    1    2   20                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3                                                            
CONECT    7   20                                                            
CONECT    8   19                                                            
CONECT    9   18                                                            
CONECT   10   11   17                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12                                                            
CONECT   16   17   20                                                       
CONECT   17   18   16   10                                                  
CONECT   18   17   19    9                                                  
CONECT   19   18   20    8                                                  
CONECT   20   19   16    1    7                                             
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0001058
HETATM    1  O1  UNL     1       2.807   2.034  -0.385  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.778   1.213   0.419  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.943   0.617  -0.665  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.592   2.154   1.549  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.934  -0.023   1.181  1.00  0.00           O  
HETATM    6  C1  UNL     1       2.441  -0.948   0.282  1.00  0.00           C  
HETATM    7  C2  UNL     1       0.972  -1.240   0.462  1.00  0.00           C  
HETATM    8  O5  UNL     1       0.225  -0.138   0.803  1.00  0.00           O  
HETATM    9  C3  UNL     1      -0.778   0.042  -0.122  1.00  0.00           C  
HETATM   10  O6  UNL     1      -0.949   1.416  -0.344  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.109  -0.506   0.296  1.00  0.00           C  
HETATM   12  O7  UNL     1      -3.100  -0.006  -0.547  1.00  0.00           O  
HETATM   13  P2  UNL     1      -4.093   1.117   0.222  1.00  0.00           P  
HETATM   14  O8  UNL     1      -3.710   2.539  -0.153  1.00  0.00           O  
HETATM   15  O9  UNL     1      -3.892   0.985   1.902  1.00  0.00           O  
HETATM   16  O10 UNL     1      -5.722   0.907  -0.174  1.00  0.00           O  
HETATM   17  C5  UNL     1      -0.250  -0.549  -1.396  1.00  0.00           C  
HETATM   18  O11 UNL     1       0.744   0.306  -1.870  1.00  0.00           O  
HETATM   19  C6  UNL     1       0.467  -1.775  -0.850  1.00  0.00           C  
HETATM   20  O12 UNL     1      -0.395  -2.824  -0.592  1.00  0.00           O  
HETATM   21  H1  UNL     1       5.303   1.424  -1.128  1.00  0.00           H  
HETATM   22  H2  UNL     1       5.049   2.907   1.104  1.00  0.00           H  
HETATM   23  H3  UNL     1       2.986  -1.903   0.457  1.00  0.00           H  
HETATM   24  H4  UNL     1       2.676  -0.632  -0.765  1.00  0.00           H  
HETATM   25  H5  UNL     1       0.875  -1.987   1.275  1.00  0.00           H  
HETATM   26  H6  UNL     1      -1.407   1.489  -1.227  1.00  0.00           H  
HETATM   27  H7  UNL     1      -2.313  -0.158   1.327  1.00  0.00           H  
HETATM   28  H8  UNL     1      -2.168  -1.603   0.309  1.00  0.00           H  
HETATM   29  H9  UNL     1      -4.519   0.281   2.224  1.00  0.00           H  
HETATM   30  H10 UNL     1      -5.896   0.042  -0.632  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.015  -0.792  -2.141  1.00  0.00           H  
HETATM   32  H12 UNL     1       0.639   1.234  -1.511  1.00  0.00           H  
HETATM   33  H13 UNL     1       1.292  -2.107  -1.518  1.00  0.00           H  
HETATM   34  H14 UNL     1      -0.407  -3.514  -1.288  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   21
CONECT    4   22
CONECT    5    6
CONECT    6    7   23   24
CONECT    7    8   19   25
CONECT    8    9
CONECT    9   10   11   17
CONECT   10   26
CONECT   11   12   27   28
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   29
CONECT   16   30
CONECT   17   18   19   31
CONECT   18   32
CONECT   19   20   33
CONECT   20   34
END

HMDB0001058
     RDKit          3D
Fructose 1,6-bisphosphate
 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8067    2.0343   -0.3846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781    1.2133    0.4186 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.9426    0.6167   -0.6654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5925    2.1544    1.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9342   -0.0231    1.1810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -0.9483    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9718   -1.2396    0.4617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2250   -0.1382    0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784    0.0419   -0.1216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9493    1.4158   -0.3439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -0.5065    0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995   -0.0058   -0.5469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.1170    0.2223 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.7097    2.5389   -0.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925    0.9852    1.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220    0.9066   -0.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497   -0.5490   -1.3962 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7436    0.3061   -1.8697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -1.7753   -0.8497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3945   -2.8241   -0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    1.4239   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0493    2.9066    1.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -1.9030    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6761   -0.6322   -0.7654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746   -1.9874    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4072    1.4885   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3126   -0.1577    1.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1679   -1.6034    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5188    0.2811    2.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8957    0.0425   -0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148   -0.7919   -2.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    1.2337   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -2.1069   -1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -3.5141   -1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
  9 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19  7  1  0
  3 21  1  0
  4 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  1
 10 26  1  0
 11 27  1  0
 11 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  6
 18 32  1  0
 19 33  1  6
 20 34  1  0
M  END

Synonyms

Value	Source
1,6-Di-O-phosphono-beta-D-fructofuranose	ChEBI
BETA FRUCTOSE 1,6-diphosphATE	ChEBI
beta-D-Fructose 1,6-bisphosphate	ChEBI
Fosfructose	ChEBI
1,6-Di-O-phosphono-b-D-fructofuranose	Generator
1,6-Di-O-phosphono-β-D-fructofuranose	Generator
b FRUCTOSE 1,6-diphosphate	Generator
b FRUCTOSE 1,6-diphosphoric acid	Generator
beta FRUCTOSE 1,6-diphosphoric acid	Generator
Β fructose 1,6-diphosphate	Generator
Β fructose 1,6-diphosphoric acid	Generator
b-D-Fructose 1,6-bisphosphate	Generator
b-D-Fructose 1,6-bisphosphoric acid	Generator
beta-D-Fructose 1,6-bisphosphoric acid	Generator
Β-D-fructose 1,6-bisphosphate	Generator
Β-D-fructose 1,6-bisphosphoric acid	Generator
Fructose 1,6-bisphosphoric acid	Generator
Fructose-1,6-diphosphate	HMDB
Fructose-1,6-diphosphate, calcium salt	HMDB
Fructose-1,6-diphosphate, disodium salt	HMDB
Fructose-1,6-diphosphate, trisodium salt	HMDB
Fructose-1,6-diphosphate, 2-(18)O-labeled	HMDB
Fructose-1,6-diphosphate, calcium (1:2) salt	HMDB
Fructose-1,6-diphosphate, monosodium salt	HMDB
Strontium fructose 1,6-diphosphate	HMDB
SR-FDP	HMDB
Fructose 1,6-diphosphate	HMDB
Fructose-1,6-diphosphate, (L)-isomer	HMDB
Fructose-1,6-diphosphate, (alpha-D)-isomer	HMDB
Fructose-1,6-diphosphate, barium (1:2) salt	HMDB
Fructose-1,6-diphosphate, sodium salt, monohydrate	HMDB
Fructose-1,6-diphosphate, tetrasodium salt	HMDB
Strontium fructose-1,6-diphosphate	HMDB
Fructose-1,6-diphosphate magnesium salt	HMDB
Fructose-1,6-diphosphate, (beta-D)-isomer	HMDB
Fructose-1,6-diphosphate, tetrapotassium salt	HMDB
D-Fructose 1,6-biphosphate	HMDB
D-Fructose 1,6-bisphosphate	HMDB
D-Fructose 1,6-diphosphate	HMDB
Diphosphofructose	HMDB
Fructose 1,6-bis(dihydrogen phosphate)	HMDB
beta-D-Fructofuranose 1,6-bisphosphate	HMDB
beta-D-Fructofuranose 1,6-diphosphate	HMDB
beta-D-Fructose 1,6-diphosphate	HMDB
Β-D-fructofuranose 1,6-bisphosphate	HMDB
Β-D-fructofuranose 1,6-diphosphate	HMDB
Β-D-fructose 1,6-diphosphate	HMDB
Fructose 1,6-bisphosphate	MeSH
b-D-Fructofuranose 1,6-bisphosphate	Generator
b-D-Fructofuranose 1,6-bisphosphoric acid	Generator
beta-D-Fructofuranose 1,6-bisphosphoric acid	Generator
Β-D-fructofuranose 1,6-bisphosphoric acid	Generator

Molecular Formula

C₆H₁₄O₁₂P₂

Average Mass

340.1157

Monoisotopic Mass

339.996048936

IUPAC Name

{[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid

Traditional Name

[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxyphosphonic acid

CAS Registry Number

125740-83-2

SMILES

O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O

InChI Identifier

InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1

InChI Key

RNBGYGVWRKECFJ-ARQDHWQXSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose 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

Hexose phosphates

Alternative Parents

Substituents

Hexose phosphate
Pentose phosphate
Pentose-5-phosphate
C-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Pentose monosaccharide
Monoalkyl phosphate
Organic phosphoric acid derivative
Alkyl phosphate
Phosphoric acid ester
Tetrahydrofuran
1,2-diol
Hemiacetal
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Alcohol
Hydrocarbon derivative
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-fructofuranose 1,6-bisphosphate (CHEBI:28013 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	16.1 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-3	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	0.89	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	58.11 m³·mol⁻¹	ChemAxon
Polarizability	25.7 Å³	ChemAxon
Number of Rings	1	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
GC-MS	GC-MS Spectrum - GC-MS (7 TMS)	splash10-014i-0497100000-d0c0dfadfe65ee3cc4e5	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (1 MEOX; 7 TMS)	splash10-014r-1779100000-ba60994aacef73cf8691	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (1 MEOX; 7 TMS)	splash10-014r-0779100000-b52ccd042ce4169961ed	2014-06-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-01xt-9532000000-c3c4929a4987e34c0dc0	2017-09-20	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-03fs-9412510000-0a0a9e96cc6bea61e3c7	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
LC-MS/MS	LC-MS/MS Spectrum - n/a 23V, negative	splash10-0006-0190000000-95a4b5217606c0b9d1fb	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 23V, negative	splash10-0002-0900000000-74a1700e0fae0f6aa64e	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 6V, negative	splash10-000i-0009000000-631b4fa683b46f4c89cb	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 8V, negative	splash10-000i-1009000000-9df66c58adba653741e0	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 10V, negative	splash10-000j-7129000000-f1414a0a896a7c132d2d	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 14V, negative	splash10-0002-9111000000-0fc51e8f6b123f0a5982	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 18V, negative	splash10-0002-9100000000-762070874ad885772dc4	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 21V, negative	splash10-0002-9100000000-d705002b3a24c5b5ac0f	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 25V, negative	splash10-002b-9000000000-caf9814ab914b2093561	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 29V, negative	splash10-004j-9000000000-3b04f1a6a67ed239b001	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 33V, negative	splash10-004i-9000000000-388ef99a8af7f88e6447	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Orbitrap 41V, negative	splash10-004i-9000000000-bc85bd9d38f2c4bf3c58	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 23V, negative	splash10-0006-0190000000-ba22a78fbbfc1a90ace3	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 23V, negative	splash10-0a4i-0900000000-b559d4679fc0eaa79be7	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 23V, negative	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 23V, negative	splash10-0002-9530000000-8e5076b641ebc42fb2ef	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 23V, negative	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 23V, negative	splash10-0fdk-9870000000-6332e12e884d56a6c22b	2020-07-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 23V, negative	splash10-004i-9000000000-5ef060d5ec4b80c35c1a	2020-07-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0007-6469000000-934f8ed1edcbd28bc667	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-006y-7295000000-a5ca0806e65ba8c99e88	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0005-9700000000-02fcc2f4b95b801c5949	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002r-8509000000-2992f67772e061c3ffe5	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-9ac5383c77bff5f6cb96	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-9d902dae0eabfe2165da	2015-09-15	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

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Cellular Cytoplasm
Placenta

Tissue Locations

Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192369	6-phosphofructokinase type C	Unknown	Q01813	Homo sapiens
MMDBp0192381	6-phosphofructokinase, liver type	Unknown	P17858	Homo sapiens
MMDBp0192384	6-phosphofructokinase, muscle type	Unknown	P08237	Homo sapiens
MMDBp0192421	Fructose-1,6-bisphosphatase isozyme 2	Enzyme	O00757	Homo sapiens
MMDBp0192423	Fructose-1,6-bisphosphatase 1	Unknown	P09467	Homo sapiens
MMDBp0192590	Fructose-bisphosphate aldolase A	Enzyme	P04075	Homo sapiens
MMDBp0192591	Fructose-bisphosphate aldolase C	Enzyme	P09972	Homo sapiens
MMDBp0192592	Fructose-bisphosphate aldolase B	Enzyme	P05062	Homo sapiens
MMDBp0196247	Fructose-bisphosphate aldolase	Enzyme	Q8NHT3	Homo sapiens
MMDBp0196248	Fructose-bisphosphate aldolase	Enzyme	A8MVZ9	Homo sapiens
MMDBp0196249	Fructose-bisphosphate aldolase	Enzyme	A4UCT0	Homo sapiens
MMDBp0196250	Fructose-bisphosphate aldolase	Enzyme	A4UCS9	Homo sapiens
MMDBp0196251	Fructose-bisphosphate aldolase	Enzyme	Q5T7D5	Homo sapiens
MMDBp0196252	Fructose-bisphosphate aldolase	Enzyme	A8K430	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0012971	beta-D-Fructose 1,6-bisphosphate	beta-D-Fructose 6-phosphate	Fructose-1,6-bisphosphatase/inositol-1-monophosphatase	Aldol addition (or reverse); Dephosphorylation	RHEA	34755880
MMDBr0013235	beta-D-Fructose 6-phosphate	beta-D-Fructose 1,6-bisphosphate	Pyrophosphate--fructose 6-phosphate 1-phosphotransferase	Transfer of phosphate group	RHEA	34755880
MMDBr0013292	Adenosine triphosphate	ADP	1-phosphofructokinase	Phosphorylation	RHEA	34755880
MMDBr0013347	beta-D-Fructose 1,6-bisphosphate	D-Glyceraldehyde 3-phosphate	Fructose-bisphosphate aldolase	Aldol addition (or reverse)	RHEA	34755880
MMDBr0013348	beta-D-Fructose 1,6-bisphosphate	D-Glyceraldehyde 3-phosphate	Fructose-bisphosphate aldolase class 1	Aldol addition (or reverse)	RHEA	34755880
MMDBr0013349	D-Glyceraldehyde 3-phosphate	beta-D-Fructose 1,6-bisphosphate	Fructose-bisphosphate aldolase class 1	Aldol addition (or reverse)	RHEA	34755880
MMDBr0013495	Adenosine triphosphate	ADP	ATP-dependent 6-phosphofructokinase	Phosphorylation	RHEA	34755880
MMDBr0013496	Adenosine triphosphate	ADP	ATP-dependent 6-phosphofructokinase	Phosphorylation	RHEA	34755880
MMDBr0013497	ADP	Adenosine triphosphate	ATP-dependent 6-phosphofructokinase isozyme 2	Phosphorylation	RHEA	34755880
MMDBr0013957	ADP	Adenosine monophosphate	ADP-specific phosphofructokinase	Phosphorylation	RHEA	34755880
MMDBr0015096	beta-D-Fructose 1,6-bisphosphate	1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate	Fructose-bisphosphate aldolase/6-deoxy-5-ketofructose 1-phosphate synthase	Aldol addition (or reverse)	RHEA	34755880

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	471	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Cattle ; River trout ; Turkey ; Sheep ; Lion ; Chicken	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	473	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Catfish	Metabolic reconstruction
Bacteria	Actinobacteria	134	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	124	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human subgingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	11	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	19	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	15	Human feces; Human ; Goat ; Pig	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Aquificae	3
Archaea/Archaea	Euryarchaeota	19		Metabolic reconstruction
Bacteria	Thermotogae	4
Bacteria	Cyanobacteria	30	Human
Eukaryota/Fungi	Ascomycota	14	Human feces; Human saliva; Human supragingival plaque
Bacteria	Chlorobi	11
Bacteria	nah	2
Bacteria/NULL	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Cattle ; River trout ; Turkey ; Sheep ; Lion ; Chicken	Unknown; Metabolic reconstruction
Archaea/Archaea	Thaumarchaeota	1		Metabolic reconstruction
Archaea/Archaea	Crenarchaeota	5		Metabolic reconstruction
Bacteria	Deinococcus-thermus	4
Bacteria	Dictyoglomi	1
Archaea/Archaea	nah	1
Eukaryota/Fungi	Microsporidia	1
nah	1
Bacteria/NULL	Actinobacteria	1	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Cattle	Metabolic reconstruction
Bacteria	Chlamydiae	3	Human
Bacteria	Chloroflexi	3
Archaea	nah	2

Exposure Sources

Source Type	Species	Data Source	Reference
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
Animal	Laminaria	FooDB	31437929
Animal	Haliotis	FooDB	31437929
Animal	Strombidae	FooDB	31437929
Animal	Clupea harengus harengus	FooDB	31437929
Animal	Undaria pinnatifida	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	Nelumbo	FooDB	31437929
Plant	Brassica oleracea var. conica	FooDB	31437929
Plant	Sesamum orientale	FooDB	31437929
Plant	Annona cherimola	FooDB	31437929
Plant	Brassica rapa var. pekinensis	FooDB	31437929
Plant	Brassica rapa	FooDB	31437929
Plant	Lippia graveolens	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	Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant	Macadamia tetraphylla	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	Nelumbo nucifera	FooDB	31437929
Plant	Coriandrum sativum	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	Anacardium occidentale	FooDB	31437929
Plant	Carthamus tinctorius	FooDB	31437929
Plant	Rubus occidentalis	FooDB	31437929
Plant	Vigna umbellata	FooDB	31437929
Plant	Cicer arietinum	FooDB	31437929
Plant	Allium fistulosum	FooDB	31437929
Plant	Capsicum	FooDB	31437929
Plant	Vaccinium alaskaense	FooDB	31437929
Plant	Lupinus	FooDB	31437929
Plant	Tilia cordata	FooDB	31437929
Plant	Camellia sinensis	FooDB	31437929
Plant	Prunus persica var. nucipersica	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	Oenothera biennis	FooDB	31437929
Plant	Diospyros kaki	FooDB	31437929
Plant	Ribes glandulosum	FooDB	31437929
Plant	Phaseolus vulgaris	FooDB	31437929
Plant	Theobroma cacao	FooDB	31437929
Plant	Virola surinamensis	FooDB	31437929
Plant	Verbena officinalis	FooDB	31437929
Plant	Daucus carota ssp. sativus	FooDB	31437929
Plant	Vaccinium oxycoccos	FooDB	31437929
Plant	Rumex acetosa	FooDB	31437929
Plant	Syzygium aromaticum	FooDB	31437929
Plant	Pyrus pyrifolia	FooDB	31437929
Plant	Vaccinium myrtillus	FooDB	31437929
Plant	Vaccinium parvifolium	FooDB	31437929
Plant	Aloysia triphylla	FooDB	31437929
Plant	Brassica oleracea var. capitata	FooDB	31437929
Plant	Capsicum chinense	FooDB	31437929
Plant	Vicia faba	FooDB	31437929
Plant	Theobroma grandiflorum	FooDB	31437929
Plant	Vaccinium reticulatum	FooDB	31437929
Plant	Solanum quitoense	FooDB	31437929
Plant	Ginkgo biloba	FooDB	31437929
Plant	Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant	Flammulina velutipes	FooDB	31437929
Plant	Satureja montana	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	Piper nigrum	FooDB	31437929
Plant	Origanum onites	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	Momordica charantia	FooDB	31437929
Plant	Vaccinium uliginosum	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	Opuntia	FooDB	31437929
Plant	Raphanus sativus var. sativus	FooDB	31437929
Plant	Colocasia esculenta	FooDB	31437929
Plant	Prunus persica var. persica	FooDB	31437929
Plant	Anthriscus cerefolium	FooDB	31437929
Plant	Nuphar lutea	FooDB	31437929
Plant	Lupinus albus	FooDB	31437929
Plant	Myristica fragrans	FooDB	31437929
Plant	Pachyrhizus erosus	FooDB	31437929
Plant	Cichorium endivia	FooDB	31437929
Plant	Apium graveolens	FooDB	31437929
Plant	Elaeis	FooDB	31437929
Plant	Cinnamomum	FooDB	31437929
Plant	Ribes uva-crispa	FooDB	31437929
Plant	Feijoa sellowiana	FooDB	31437929
Plant	Dysphania ambrosioides	FooDB	31437929
Plant	Raphanus sativus var. niger	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	Phaseolus coccineus	FooDB	31437929
Plant	Thymus pulegioides	FooDB	31437929
Plant	Tamarindus indica	FooDB	31437929
Plant	Mespilus germanica	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	Solanum tuberosum	FooDB	31437929
Plant	Psidium guajava	FooDB	31437929
Plant	Olea europaea	FooDB	31437929
Plant	Sambucus	FooDB	31437929
Plant	Pinus	FooDB	31437929
Plant	Syzygium cumini	FooDB	31437929
Plant	Tilia tomentosa	FooDB	31437929
Plant	Typha angustifolia	FooDB	31437929
Plant	Daucus carota	FooDB	31437929
Plant	Empetrum nigrum	FooDB	31437929
Plant	Valerianella locusta	FooDB	31437929
Plant	Myrica rubra	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	Raphanus sativus	FooDB	31437929
Plant	Vigna radiata	FooDB	31437929
Plant	Borago officinalis	FooDB	31437929
Plant	Prunus dulcis	FooDB	31437929
Plant	Hyssopus officinalis	FooDB	31437929
Plant	Manihot esculenta	FooDB	31437929
Plant	Beta vulgaris ssp. cicla	FooDB	31437929
Plant	Scorzonera hispanica	FooDB	31437929
Plant	Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant	Angelica keiskei	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	Arachis hypogaea	FooDB	31437929
Plant	Rubus idaeus	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	Solanum lycopersicum	FooDB	31437929
Plant	Abelmoschus esculentus	FooDB	31437929
Plant	Moringa oleifera	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	Mentha spicata	FooDB	31437929
Plant	Cucurbita pepo var. clypeata	FooDB	31437929
Plant	Helianthus annuus	FooDB	31437929
Plant	Corylus	FooDB	31437929
Plant	Malus	FooDB	31437929
Plant	Pisum sativum	FooDB	31437929
Plant	Sambucus nigra	FooDB	31437929
Plant	Allium cepa	FooDB	31437929
Plant	Juglans	FooDB	31437929
Plant	Ribes nigrum	FooDB	31437929
Plant	Zingiber officinale	FooDB	31437929
Plant	Mangifera indica	FooDB	31437929
Plant	Petroselinum crispum	FooDB	31437929
Plant	Chamaemelum nobile	FooDB	31437929
Plant	Illicium verum	FooDB	31437929
Plant	Laurus nobilis	FooDB	31437929
Plant		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	Spinacia oleracea	FooDB	31437929
Plant	Auricularia polytricha	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	Medicago sativa	FooDB	31437929
Plant	Vigna mungo	FooDB	31437929
Plant	Rubus arcticus	FooDB	31437929
Plant	Agaricus bisporus	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	Prunus persica	FooDB	31437929
Plant	Canarium ovatum	FooDB	31437929
Plant	Ribes aureum var. villosum	FooDB	31437929
Plant	Cucurbita pepo var. cylindrica	FooDB	31437929
Plant	Brassica oleracea var. gemmifera	FooDB	31437929
Plant	Foeniculum vulgare	FooDB	31437929
Plant		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	Juglans cinerea	FooDB	31437929
Plant	Prunus cerasus	FooDB	31437929
Plant	Eruca vesicaria ssp. sativa	FooDB	31437929
Plant	Rosmarinus officinalis	FooDB	31437929
Plant	Artocarpus altilis	FooDB	31437929
Plant	Citrus x paradisi	FooDB	31437929
Plant	Vigna unguiculata	FooDB	31437929
Plant	Cynara scolymus	FooDB	31437929
Plant	Cyathea	FooDB	31437929
Plant	Metroxylon sagu	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	Helianthus tuberosus	FooDB	31437929
Plant	Phytolacca americana	FooDB	31437929
Plant	Grifola frondosa	FooDB	31437929
Plant	Vitis labrusca	FooDB	31437929
Plant	Tetragonia tetragonioides	FooDB	31437929
Plant	Artemisia vulgaris	FooDB	31437929
Plant	Cucumis metuliferus	FooDB	31437929
Plant		FooDB	31437929
Plant	Nephelium lappaceum	FooDB	31437929
Plant	Myrica	FooDB	31437929
Plant	Corylus avellana	FooDB	31437929
Plant	Castanea crenata	FooDB	31437929
Plant	Litchi chinensis	FooDB	31437929
Plant	Juglans regia	FooDB	31437929
Plant	Quercus	FooDB	31437929
Plant	Trigonella foenum-graecum	FooDB	31437929
Plant	Vaccinium angustifolium	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	Asparagus officinalis	FooDB	31437929
Plant	Chamerion angustifolium	FooDB	31437929
Plant	Levisticum officinale	FooDB	31437929
Plant	Pimpinella anisum	FooDB	31437929
Plant	Vaccinium elliottii	FooDB	31437929
Plant	Artemisia dracunculus	FooDB	31437929
Plant	Matricaria recutita	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	Malus pumila	FooDB	31437929
Plant	Vitellaria paradoxa	FooDB	31437929
Plant	Pangium edule	FooDB	31437929
Plant	Allium	FooDB	31437929
Plant	Brassica oleracea var. viridis	FooDB	31437929
Plant	Punica granatum	FooDB	31437929
Plant	Agave	FooDB	31437929
Plant		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	Beta vulgaris	FooDB	31437929
Plant	Mammea americana	FooDB	31437929
Plant	Brassica alboglabra	FooDB	31437929
Plant	Annona squamosa	FooDB	31437929
Plant	Apium graveolens var. dulce	FooDB	31437929
Plant	Vitis	FooDB	31437929
Plant	Xanthosoma sagittifolium	FooDB	31437929
Plant	Basella alba	FooDB	31437929
Plant	Cucumis sativus	FooDB	31437929
Plant	Citrus latifolia	FooDB	31437929
Plant	Carya illinoinensis	FooDB	31437929
Plant	Capsicum baccatum var. baccatum	FooDB	31437929
Plant	Byrsonima crassifolia	FooDB	31437929
Plant	Capsicum pubescens	FooDB	31437929
Plant	Cinnamomum aromaticum	FooDB	31437929
Plant	Ribes rubrum	FooDB	31437929
Plant	Crateva religiosa	FooDB	31437929
Plant		FooDB	31437929
Plant	Vitis aestivalis	FooDB	31437929
Plant	Brassica rapa var. chinensis	FooDB	31437929
Plant	Eugenia javanica	FooDB	31437929
Plant	Portulaca oleracea	FooDB	31437929
Plant	Ipomoea batatas	FooDB	31437929
Plant	Mentha arvensis	FooDB	31437929
Plant	Pastinaca sativa	FooDB	31437929
Plant	Cucurbita maxima	FooDB	31437929
Plant	Vaccinium stamineum	FooDB	31437929
Plant	Solanum lycopersicum var. cerasiforme	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	Lactuca sativa l. var. longifolia	FooDB	31437929
Plant	Grataegosorbus mitschurinii	FooDB	31437929
Plant	Diospyros virginiana	FooDB	31437929
Plant	Origanum x majoricum	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	Citrullus lanatus var. fistulosus	FooDB	31437929
Plant	Ananas comosus	FooDB	31437929
Plant	Persea americana	FooDB	31437929
Plant	Amelanchier alnifolia	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	Dioscorea pentaphylla	FooDB	31437929
Plant	Corchorus olitorius	FooDB	31437929
Plant	Juglans nigra	FooDB	31437929
Plant	Lathyrus sativus	FooDB	31437929
Plant	Allium tuberosum	FooDB	31437929
Plant	Cinnamomum verum	FooDB	31437929
Plant	Glycine max	FooDB	31437929
Plant	Petasites japonicus	FooDB	31437929
Plant	Gaylussacia baccata	FooDB	31437929
Plant	Prunus tomentosa	FooDB	31437929
Plant	Ocimum basilicum	FooDB	31437929
Plant	Mentha x piperita	FooDB	31437929
Plant	Maranta arundinacea	FooDB	31437929
Plant	Matteuccia struthiopteris	FooDB	31437929
Plant	Cucurbita moschata	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Cellular cytoplasm	Detected and Quantified	7.60		3.60	11.6	uM	Adult (>18 years old)	Both	Normal	HMDB	15882454
Human Blood	Detected and Quantified	1.2	0.4			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	3.8	0.7			uM	Newborn (0-30 days old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001058

DrugBank ID

DB04551

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022397

KNApSAcK ID

Not Available

Chemspider ID

9848

KEGG Compound ID

C05378

BioCyc ID

FRUCTOSE-16-DIPHOSPHATE

BiGG ID

Not Available

Wikipedia Link

Fructose 1,6-bisphosphate

METLIN ID

PubChem Compound

PDB ID

ChEBI ID

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Norne JE, Lilja H, Lindman B, Einarsson R, Zeppezauer M: Pt(CN)2-4 and Au(CN)-2: potential general probes for anion-binding sites of proteins. 35Cl and 81Br nuclear-magnetic-resonance studies. Eur J Biochem. 1975 Nov 15;59(2):463-73. doi: 10.1111/j.1432-1033.1975.tb02475.x. [PubMed:1204623 ]
Nakai A, Shigematsu Y, Liu YY, Kikawa Y, Sudo M: Urinary sugar phosphates and related organic acids in fructose-1,6-diphosphatase deficiency. J Inherit Metab Dis. 1993;16(2):408-14. doi: 10.1007/BF00710290. [PubMed:8412001 ]
Acan NL, Ozer N: Modification of human erythrocyte pyruvate kinase by an active site-directed reagent: bromopyruvate. J Enzyme Inhib. 2001 Nov;16(5):457-64. doi: 10.1080/14756360109162395. [PubMed:11916152 ]
Ahn SM, Yoon HY, Lee BG, Park KC, Chung JH, Moon CH, Lee SH: Fructose-1,6-diphosphate attenuates prostaglandin E2 production and cyclo-oxygenase-2 expression in UVB-irradiated HaCaT keratinocytes. Br J Pharmacol. 2002 Oct;137(4):497-503. doi: 10.1038/sj.bjp.0704896. [PubMed:12359631 ]
Riedel BJ, Gal J, Ellis G, Marangos PJ, Fox AW, Royston D: Myocardial protection using fructose-1,6-diphosphate during coronary artery bypass graft surgery: a randomized, placebo-controlled clinical trial. Anesth Analg. 2004 Jan;98(1):20-29. doi: 10.1213/01.ANE.0000094336.97693.90. [PubMed:14693576 ]
Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. doi: 10.1186/1742-4682-2-18. [PubMed:15882454 ]
Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for beta-D-Fructose 1,6-bisphosphate (MMDBc0030043)

MOL for #<Metabolite:0x00007f5a4c7e6d20>

3D MOL for #<Metabolite:0x00007f5a4c7e6d20>

3D SDF for #<Metabolite:0x00007f5a4c7e6d20>

3D-SDF for #<Metabolite:0x00007f5a4c7e6d20>

PDB for #<Metabolite:0x00007f5a4c7e6d20>

3D PDB for #<Metabolite:0x00007f5a4c7e6d20>

SMILES for #<Metabolite:0x00007f5a4c7e6d20>

INCHI for #<Metabolite:0x00007f5a4c7e6d20>

Structure for #<Metabolite:0x00007f5a4c7e6d20>

3D Structure for #<Metabolite:0x00007f5a4c7e6d20>