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Showing NP-Card for (2R)-2-Hydroxy-3-(phosphonatooxy)propanoate (NP0000856)

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Record Information
Version2.0
Created at2013-05-09 21:01:49 UTC
Updated at2024-09-17 15:43:11 UTC
NP-MRD IDNP0000856
Secondary Accession NumbersNone
Natural Product Identification
Common Name(2R)-2-Hydroxy-3-(phosphonatooxy)propanoate
Description(2R)-2-Hydroxy-3-(phosphonatooxy)propanoate, also known as 3-phospho-(R)-glycerate or D-glycerate 3-phosphate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group (2R)-2-Hydroxy-3-(phosphonatooxy)propanoate is a drug (2R)-2-hydroxy-3-(phosphonatooxy)propanoate has been detected, but not quantified, in several different foods, such as poppies, small-leaf lindens, lupines, pomegranates, and kombus. These are compounds containing a saccharide unit which bears a carboxylic acid group.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000856 ((2R)-2-Hydroxy-3-(phosphonatooxy)propanoate)


  Mrv1652309042000402D          

 11 10  0  0  1  0            999 V2000
    8.7751   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0582   -3.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446   -4.3490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6310   -3.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446   -5.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9142   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6310   -3.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -3.9365    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2040   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -3.1115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -4.7615    0.0000 O   0  0  0  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  1  0  0  0  0
  3  5  1  1  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
Download

3D MOL for NP0000856 ((2R)-2-Hydroxy-3-(phosphonatooxy)propanoate)

HMDB0060180
     RDKit          3D
D-Glycerate 3-phosphate
 18 17  0  0  0  0  0  0  0  0999 V2000
   -3.4602   -0.4318    0.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5644    0.3283    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442    1.6350    0.7566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5489   -0.1859   -0.6100 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7747   -1.5183   -0.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    0.0039    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8408   -0.4353   -0.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -0.1798    0.0879 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.0208   -0.3569    1.5848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    1.4189   -0.1742 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4974   -1.2044   -0.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488    2.4351    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5538    0.3705   -1.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0701   -2.0168   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971    1.0517    0.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105   -0.6492    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878    1.5498    0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301   -1.8148   -1.1465 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
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  3 12  1  0
  4 13  1  6
  5 14  1  0
  6 15  1  0
  6 16  1  0
 10 17  1  0
 11 18  1  0
M  END
Download

3D SDF for NP0000856 ((2R)-2-Hydroxy-3-(phosphonatooxy)propanoate)


  Mrv1652309042000402D          

 11 10  0  0  1  0            999 V2000
    8.7751   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0582   -3.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446   -4.3490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6310   -3.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446   -5.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9142   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6310   -3.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -3.9365    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2040   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -3.1115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -4.7615    0.0000 O   0  0  0  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  1  0  0  0  0
  3  5  1  1  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000856

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

> <INCHI_KEY>
OSJPPGNTCRNQQC-UWTATZPHSA-N

> <FORMULA>
C3H7O7P

> <MOLECULAR_WEIGHT>
186.0572

> <EXACT_MASS>
185.99293909

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
13.540840192774787

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid

> <ALOGPS_LOGP>
-2.26

> <JCHEM_LOGP>
-1.642305516

> <ALOGPS_LOGS>
-0.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.4930984077105847

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3022122249394057

> <JCHEM_PKA_STRONGEST_BASIC>
-4.151933713507117

> <JCHEM_POLAR_SURFACE_AREA>
124.29

> <JCHEM_REFRACTIVITY>
31.256400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.10e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-glycerate 3-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0000856 ((2R)-2-Hydroxy-3-(phosphonatooxy)propanoate)

HMDB0060180
     RDKit          3D
D-Glycerate 3-phosphate
 18 17  0  0  0  0  0  0  0  0999 V2000
   -3.4602   -0.4318    0.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5644    0.3283    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442    1.6350    0.7566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5489   -0.1859   -0.6100 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7747   -1.5183   -0.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    0.0039    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8408   -0.4353   -0.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -0.1798    0.0879 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.0208   -0.3569    1.5848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    1.4189   -0.1742 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4974   -1.2044   -0.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488    2.4351    0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5538    0.3705   -1.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0701   -2.0168   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971    1.0517    0.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105   -0.6492    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878    1.5498    0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301   -1.8148   -1.1465 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
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  3 12  1  0
  4 13  1  6
  5 14  1  0
  6 15  1  0
  6 16  1  0
 10 17  1  0
 11 18  1  0
M  END
Download

PDB for NP0000856 ((2R)-2-Hydroxy-3-(phosphonatooxy)propanoate)

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  O   UNK     0      16.380  -8.118   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      15.042  -7.345   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.710  -8.118   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.378  -7.345   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      13.710  -9.664   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      11.040  -8.118   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      12.378  -5.806   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0      17.714  -7.348   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0      19.047  -8.118   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      17.714  -5.808   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      17.714  -8.888   0.000  0.00  0.00           O+0
CONECT    1    2    8                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3    6    7                                                  
CONECT    5    3                                                            
CONECT    6    4                                                            
CONECT    7    4                                                            
CONECT    8    1    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for NP0000856 ((2R)-2-Hydroxy-3-(phosphonatooxy)propanoate)

COMPND    HMDB0060180
HETATM    1  O1  UNL     1      -3.460  -0.432   0.740  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.564   0.328   0.327  1.00  0.00           C  
HETATM    3  O2  UNL     1      -2.544   1.635   0.757  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.549  -0.186  -0.610  1.00  0.00           C  
HETATM    5  O3  UNL     1      -1.775  -1.518  -0.895  1.00  0.00           O  
HETATM    6  C3  UNL     1      -0.193   0.004   0.062  1.00  0.00           C  
HETATM    7  O4  UNL     1       0.841  -0.435  -0.749  1.00  0.00           O  
HETATM    8  P1  UNL     1       2.286  -0.180   0.088  1.00  0.00           P  
HETATM    9  O5  UNL     1       2.021  -0.357   1.585  1.00  0.00           O  
HETATM   10  O6  UNL     1       2.803   1.419  -0.174  1.00  0.00           O  
HETATM   11  O7  UNL     1       3.497  -1.204  -0.439  1.00  0.00           O  
HETATM   12  H1  UNL     1      -2.349   2.435   0.168  1.00  0.00           H  
HETATM   13  H2  UNL     1      -1.554   0.370  -1.581  1.00  0.00           H  
HETATM   14  H3  UNL     1      -2.070  -2.017  -0.090  1.00  0.00           H  
HETATM   15  H4  UNL     1      -0.097   1.052   0.341  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.211  -0.649   0.968  1.00  0.00           H  
HETATM   17  H6  UNL     1       3.688   1.550   0.255  1.00  0.00           H  
HETATM   18  H7  UNL     1       3.230  -1.815  -1.147  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   12
CONECT    4    5    6   13
CONECT    5   14
CONECT    6    7   15   16
CONECT    7    8
CONECT    8    9    9   10   11
CONECT   10   17
CONECT   11   18
END
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SMILES for NP0000856 ((2R)-2-Hydroxy-3-(phosphonatooxy)propanoate)

O[C@H](COP(O)(O)=O)C(O)=O
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INCHI for NP0000856 ((2R)-2-Hydroxy-3-(phosphonatooxy)propanoate)

InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
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View in JSmolView NMR Assignments
Synonyms
ValueSource
3-Phospho-(R)-glycerateChEBI
3-Phospho-D-glycerateChEBI
3-PhosphoglycerateChEBI
3-Phospho-(R)-glyceric acidGenerator
3-Phospho-D-glyceric acidGenerator
3-Phosphoglyceric acidGenerator
D-Glyceric acid 3-phosphoric acidGenerator
(2R)-2-Hydroxy-3-(phosphonatooxy)propanoic acidHMDB
(2R)-2-Hydroxy-3-(phosphonooxy)propanoic acidHMDB
2-Hydroxy-3-(phosphonatooxy)propanoateHMDB
D-(-)-3-Phosphoglyceric acidHMDB
D-3-Phosphoglyceric acidHMDB
D-Glyceric acid 3-phosphateHMDB
Glycerate 3-phosphateHMDB
3-Phosphoglycerate, trisodium saltHMDB
3-Phosphoglycerate, monosodium saltHMDB
3-Phosphoglycerate, (R)-isomerHMDB
D-Glycerate 3-phosphateChEBI
Chemical FormulaC3H7O7P
Average Mass186.0572 Da
Monoisotopic Mass185.99294 Da
IUPAC Name(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid
Traditional NameD-glycerate 3-phosphate
CAS Registry NumberNot Available
SMILES
O[C@H](COP(O)(O)=O)C(O)=O
InChI Identifier
InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChI KeyOSJPPGNTCRNQQC-UWTATZPHSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Actinidia chinensisFooDB
Agaricus bisporusFooDB
AgaveFooDB
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Aloysia triphyllaFooDB
AmaranthusFooDB
Amelanchier alnifoliaFooDB
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anethum graveolensFooDB
Angelica keiskeiFooDB
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anthriscus cerefoliumFooDB
Apis ceranaLOTUS Database
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Arabidopsis thalianaPlant
Arachis hypogaeaFooDB
Arctium lappaFooDB
Armoracia rusticanaFooDB
Artemisia dracunculusFooDB
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Asparagus officinalisFooDB
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Basella albaFooDB
Benincasa hispidaFooDB
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Borago officinalisFooDB
Brassica alboglabraFooDB
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brosimum alicastrumFooDB
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Canarium ovatumFooDB
Cannabis sativaCannabisDB
      Not Available
Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Carica papaya L.FooDB
Carissa macrocarpaFooDB
Carthamus tinctoriusFooDB
Carum carviFooDB
CaryaFooDB
Carya illinoinensisFooDB
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Ceratonia siliquaFooDB
Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chrysanthemum coronariumFooDB
Cicer arietinumFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
CinnamomumFooDB
Cinnamomum aromaticumFooDB
Cinnamomum verumFooDB
CirsiumFooDB
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus latifoliaFooDB
Citrus limonFooDB
Citrus maximaFooDB
Citrus paradisiFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Cocos nuciferaFooDB
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
Corchorus olitoriusFooDB
Coriandrum sativum L.FooDB
CorylusFooDB
Corylus avellanaFooDB
Crateva religiosaFooDB
Crocus sativusFooDB
Cucumis meloFooDB
Cucumis metuliferusFooDB
Cucumis sativus L.FooDB
CucurbitaFooDB
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Cuminum cyminumFooDB
Curcuma longaFooDB
Cydonia oblongaFooDB
Cymbopogon citratusFooDB
Cynara cardunculusFooDB
Cynara scolymusFooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Dimocarpus longanFooDB
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros kakiFooDB
Diospyros virginianaFooDB
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
Eragrostis tefFooDB
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Eutrema japonicumFooDB
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Feijoa sellowianaFooDB
Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
Garcinia mangostanaFooDB
Gaylussacia baccataFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
GossypiumFooDB
Grifola frondosaFooDB
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Hibiscus sabbariffaFooDB
Hippophae rhamnoidesFooDB
Homo sapiensLOTUS Database
Hordeum vulgareFooDB
Hyssopus officinalis L.FooDB
Illicium verumFooDB
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Lablab purpureusFooDB
Lactuca sativaFooDB
Lagenaria sicerariaFooDB
Lathyrus sativusFooDB
Laurus nobilis L.FooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Lepidium sativumFooDB
Levisticum officinaleFooDB
Linum usitatissimumFooDB
Litchi chinensisFooDB
Luffa aegyptiacaFooDB
LupinusFooDB
Lupinus albusFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Maranta arundinaceaFooDB
Matricaria recutitaFooDB
Matteuccia struthiopterisFooDB
Medicago sativaFooDB
Melissa officinalis L.FooDB
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Momordica charantiaFooDB
MorchellaceaeFooDB
Morella rubraFooDB
Moringa oleiferaFooDB
MorusFooDB
Morus nigraFooDB
Mus musculusLOTUS Database
Musa acuminataFooDB
Musa x paradisiacaFooDB
Mycoplasma gallisepticumLOTUS Database
MyricaFooDB
Myristica fragransFooDB
NelumboFooDB
Nelumbo nuciferaFooDB
Nephelium lappaceumFooDB
Nuphar luteaFooDB
Ocimum basilicumFooDB
Oenothera biennisFooDB
Olea europaeaFooDB
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia macrorhizaFooDB
Origanum majoranaFooDB
Origanum onitesFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
Oryza rufipogonFooDB
Oryza sativaFooDB
Pachyrhizus erosusFooDB
Panax ginsengFooDB
Pangium eduleFooDB
Panicum miliaceumFooDB
Passiflora edulisFooDB
Pastinaca sativaFooDB
Pediomelum esculentumFooDB
Perideridia oreganaFooDB
Persea americanaFooDB
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Pimenta dioicaFooDB
Pimpinella anisumFooDB
PinusFooDB
Pinus edulisFooDB
Piper nigrum L.FooDB
Pistacia veraFooDB
Pisum sativumFooDB
Pleurotus ostreatusFooDB
Polygonum alpinumFooDB
Portulaca oleraceaFooDB
Pouteria sapotaFooDB
Prunus armeniacaFooDB
Prunus aviumFooDB
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Punica granatumFooDB
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rheum rhabarbarumFooDB
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
RosaFooDB
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus spectabilisFooDB
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Sagittaria latifoliaFooDB
Salix pulchraFooDB
Salvia elegansFooDB
Salvia hispanicaFooDB
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Satureja hortensis L.FooDB
Satureja montanaFooDB
Scorzonera hispanicaFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Sesamum indicumFooDB
Sesbania bispinosaFooDB
Sinapis albaFooDB
SisymbriumFooDB
Solanum lycopersicumFooDB
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum quitoenseFooDB
Solanum tuberosumFooDB
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Spinacia oleraceaFooDB
Syzygium aromaticumFooDB
Syzygium cuminiFooDB
Syzygium jambosFooDB
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
Tetragonia tetragonioidesFooDB
ThelespermaFooDB
Thymus pulegioidesFooDB
Thymus vulgarisFooDB
Tilia cordataFooDB
Tilia L.FooDB
Tragopogon porrifoliusFooDB
Trigonella foenum-graecumFooDB
TriticumFooDB
Triticum aestivumFooDB
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Trypanosoma bruceiLOTUS Database
Typha angustifoliaFooDB
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Valerianella locustaFooDB
VanillaFooDB
Verbena officinalisFooDB
Viburnum eduleFooDB
Vicia fabaFooDB
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
VitisFooDB
Vitis aestivalisFooDB
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis vinifera L.FooDB
Xanthosoma sagittifoliumFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
Species Where Detected
Species NameSourceReference
Escherichia coliKNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Glyceric_acid
  • Monoalkyl phosphate
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Carboxylic acid
  • Alcohol
  • Carbonyl group
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility21 g/LALOGPS
logP-2.3ALOGPS
logP-1.6ChemAxon
logS-0.95ALOGPS
pKa (Strongest Acidic)1.3ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area124.29 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity31.26 m³·mol⁻¹ChemAxon
Polarizability13.54 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0060180
DrugBank IDDB04510
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030460
KNApSAcK IDC00019551
Chemspider ID388326
KEGG Compound IDC00197
BioCyc IDG3P
BiGG IDNot Available
Wikipedia Link3-Phosphoglyceric_acid
METLIN IDNot Available
PubChem Compound439183
PDB IDNot Available
ChEBI ID17794
Good Scents IDNot Available
References
General References
  1. Bartsch O, Hagemann M, Bauwe H: Only plant-type (GLYK) glycerate kinases produce d-glycerate 3-phosphate. FEBS Lett. 2008 Sep 3;582(20):3025-8. doi: 10.1016/j.febslet.2008.07.038. Epub 2008 Aug 7. [PubMed:18675808 ]
  2. Brechtel E, Huwig A, Giffhorn F: L-glucitol catabolism in Stenotrophomonas maltophilia Ac. Appl Environ Microbiol. 2002 Feb;68(2):582-7. doi: 10.1128/AEM.68.2.582-587.2002. [PubMed:11823194 ]