Np mrd loader

Showing NP-Card for Phosphoenolpyruvic acid (NP0000287)

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Record Information
Version2.0
Created at2005-11-16 15:48:42 UTC
Updated at2020-11-24 22:14:19 UTC
NP-MRD IDNP0000287
Secondary Accession NumbersNone
Natural Product Identification
Common NamePhosphoenolpyruvic acid
DescriptionPhosphoenolpyruvate (PEP) is an important chemical compound in biochemistry. It has a high energy phosphate bond, and is involved in glycolysis and gluconeogenesis. In glycolysis, PEP is formed by the action of the enzyme enolase on 2-phosphoglycerate. Metabolism of PEP to pyruvate by pyruvate kinase (PK) generates 1 molecule of adenosine triphosphate (ATP) via substrate-level phosphorylation. ATP is one of the major currencies of chemical energy within cells. In gluconeogenesis, PEP is formed from the decarboxylation of oxaloacetate and hydrolysis of 1 guanosine triphosphate molecule. This reaction is catalyzed by the enzyme phosphoenolpyruvate carboxykinase (PEPCK). This reaction is a rate-limiting step in gluconeogenesis. (Wikipedia).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000287 (Phosphoenolpyruvic acid)


  Mrv1652309152017202D          

 10  9  0  0  0  0            999 V2000
10014.207710014.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.923910014.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10013.492110014.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.207710013.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.638310014.3706    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10012.778410014.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10013.492110015.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10015.224710013.6569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10016.354710014.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10016.049710013.6569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
Download

3D MOL for NP0000287 (Phosphoenolpyruvic acid)

HMDB0000263
     RDKit          3D
Phosphoenolpyruvic acid
 15 14  0  0  0  0  0  0  0  0999 V2000
    1.5201    1.3322    1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120    0.6067    0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254    0.8887    0.3755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8978   -0.1003   -0.0983 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.1377    0.3511    0.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464    0.0586   -1.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.6974    0.3306 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599   -0.4585   -0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5239   -1.1606   -1.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6272   -0.6858   -0.5431 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1037    2.1100    1.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5841    1.1235    1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5812    0.9549   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -1.6901    1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9453   -1.6330   -0.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  6 13  1  0
  7 14  1  0
 10 15  1  0
M  END
Download

3D SDF for NP0000287 (Phosphoenolpyruvic acid)


  Mrv1652309152017202D          

 10  9  0  0  0  0            999 V2000
10014.207710014.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.923910014.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10013.492110014.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.207710013.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.638310014.3706    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10012.778410014.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10013.492110015.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10015.224710013.6569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10016.354710014.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10016.049710013.6569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000287

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)C(=C)OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)

> <INCHI_KEY>
DTBNBXWJWCWCIK-UHFFFAOYSA-N

> <FORMULA>
C3H5O6P

> <MOLECULAR_WEIGHT>
168.042

> <EXACT_MASS>
167.982374404

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
11.570833644416727

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(phosphonooxy)prop-2-enoic acid

> <ALOGPS_LOGP>
-1.22

> <JCHEM_LOGP>
-0.6395755343333333

> <ALOGPS_LOGS>
-1.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.5517999477775644

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.7594134980317975

> <JCHEM_POLAR_SURFACE_AREA>
104.06

> <JCHEM_REFRACTIVITY>
30.131700000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phosphoenolpyruvic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0000287 (Phosphoenolpyruvic acid)

HMDB0000263
     RDKit          3D
Phosphoenolpyruvic acid
 15 14  0  0  0  0  0  0  0  0999 V2000
    1.5201    1.3322    1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120    0.6067    0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254    0.8887    0.3755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8978   -0.1003   -0.0983 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.1377    0.3511    0.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464    0.0586   -1.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.6974    0.3306 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599   -0.4585   -0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5239   -1.1606   -1.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6272   -0.6858   -0.5431 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1037    2.1100    1.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5841    1.1235    1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5812    0.9549   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -1.6901    1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9453   -1.6330   -0.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  6 13  1  0
  7 14  1  0
 10 15  1  0
M  END
Download

PDB for NP0000287 (Phosphoenolpyruvic acid)

HEADER    PROTEIN                                 15-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-SEP-20         0                                  
HETATM    1  C   UNK     0    8693.1888693.492   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8694.5258694.261   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8691.8528694.261   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8693.1888691.952   0.000  0.00  0.00           C+0
HETATM    5  P   UNK     0    8695.8588693.492   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0    8690.5208693.492   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8691.8528695.801   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8695.0868692.160   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8697.1968694.264   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8696.6268692.160   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6    7                                                  
CONECT    4    1                                                            
CONECT    5    2    8    9   10                                             
CONECT    6    3                                                            
CONECT    7    3                                                            
CONECT    8    5                                                            
CONECT    9    5                                                            
CONECT   10    5                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   18    0
END
Download

3D PDB for NP0000287 (Phosphoenolpyruvic acid)

COMPND    HMDB0000263
HETATM    1  C1  UNL     1       1.520   1.332   1.052  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.712   0.607   0.314  1.00  0.00           C  
HETATM    3  O1  UNL     1      -0.625   0.889   0.375  1.00  0.00           O  
HETATM    4  P1  UNL     1      -1.898  -0.100  -0.098  1.00  0.00           P  
HETATM    5  O2  UNL     1      -3.138   0.351   0.676  1.00  0.00           O  
HETATM    6  O3  UNL     1      -2.146   0.059  -1.758  1.00  0.00           O  
HETATM    7  O4  UNL     1      -1.539  -1.697   0.331  1.00  0.00           O  
HETATM    8  C3  UNL     1       1.260  -0.459  -0.533  1.00  0.00           C  
HETATM    9  O5  UNL     1       0.524  -1.161  -1.241  1.00  0.00           O  
HETATM   10  O6  UNL     1       2.627  -0.686  -0.543  1.00  0.00           O  
HETATM   11  H1  UNL     1       1.104   2.110   1.669  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.584   1.124   1.017  1.00  0.00           H  
HETATM   13  H3  UNL     1      -2.581   0.955  -1.892  1.00  0.00           H  
HETATM   14  H4  UNL     1      -1.348  -1.690   1.302  1.00  0.00           H  
HETATM   15  H5  UNL     1       2.945  -1.633  -0.672  1.00  0.00           H  
CONECT    1    2    2   11   12
CONECT    2    3    8
CONECT    3    4
CONECT    4    5    5    6    7
CONECT    6   13
CONECT    7   14
CONECT    8    9    9   10
CONECT   10   15
END
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SMILES for NP0000287 (Phosphoenolpyruvic acid)

OC(=O)C(=C)OP(O)(O)=O
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INCHI for NP0000287 (Phosphoenolpyruvic acid)

InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
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View in JSmol
Synonyms
ValueSource
2-(Phosphonooxy)-2-propenoic acidChEBI
2-PHOSPHOENOLPYRUVIC ACIDChEBI
PEPChEBI
PHOSPHOENOLPYRUVATEChEBI
2-(Phosphonooxy)-2-propenoateGenerator
2-PHOSPHOENOLPYRUVateGenerator
2-Hydroxy-acrylic acid dihydrogen phosphateHMDB
2-Phosphonooxyprop-2-enoateHMDB
2-Phosphonooxyprop-2-enoic acidHMDB
p-enol-PyruvateHMDB
PEP (phosphate)HMDB
Phosphoenolpyruvic acidHMDB
Chemical FormulaC3H5O6P
Average Mass168.0420 Da
Monoisotopic Mass167.98237 Da
IUPAC Name2-(phosphonooxy)prop-2-enoic acid
Traditional Namephosphoenolpyruvic acid
CAS Registry Number138-08-9
SMILES
OC(=O)C(=C)OP(O)(O)=O
InChI Identifier
InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChI KeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
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
Anas platyrhynchosFooDB
AnatidaeFooDB
Anethum graveolensFooDB
Angelica keiskeiFooDB
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anser anserFooDB
Anthriscus cerefoliumFooDB
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
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
Bison bisonFooDB
Borago officinalisFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
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
Bubalus bubalisFooDB
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Canarium ovatumFooDB
Cannabis sativaCannabisDB
      Not Available
Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capra aegagrus hircusFooDB
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
CervidaeFooDB
Cervus canadensisFooDB
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
ColumbaFooDB
ColumbidaeFooDB
Corchorus olitoriusFooDB
Coriandrum sativum L.FooDB
Cornus officinalisPlant
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
Dromaius novaehollandiaeFooDB
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
Equus caballusFooDB
Eragrostis tefFooDB
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Escherichia coliBacteria
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Eutrema japonicumFooDB
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Feijoa sellowianaFooDB
Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
Gallus gallusFooDB
Garcinia mangostanaFooDB
Gaylussacia baccataFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
GossypiumFooDB
Grifola frondosaFooDB
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Hibiscus sabbariffaFooDB
Hippophae rhamnoidesFooDB
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
Lagopus mutaFooDB
Lathyrus sativusFooDB
Laurus nobilis L.FooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Lepidium sativumFooDB
LeporidaeFooDB
Lepus timidusFooDB
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Chemical Taxonomy
Description Belongs to the class of organic compounds known as phosphate esters. These are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentPhosphate esters
Alternative Parents
Substituents
  • Phosphoric acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility13.2 g/LALOGPS
logP-1.2ALOGPS
logP-0.64ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)0.76ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area104.06 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity30.13 m³·mol⁻¹ChemAxon
Polarizability11.57 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0000263
DrugBank IDDB01819
Phenol Explorer Compound IDNot Available
FoodDB IDFDB031112
KNApSAcK IDC00000798
Chemspider ID980
KEGG Compound IDC00074
BioCyc IDPHOSPHO-ENOL-PYRUVATE
BiGG IDNot Available
Wikipedia LinkPhosphoenolpyruvic_acid
METLIN IDNot Available
PubChem Compound1005
PDB IDNot Available
ChEBI ID44897
Good Scents IDNot Available
References
General References
  1. Krogh P: Role of ochratoxin in disease causation. Food Chem Toxicol. 1992 Mar;30(3):213-24. [PubMed:1618445 ]
  2. Germaine GR, Tellefson LM: Promotion of Streptococcus mutans glucose transport by human whole saliva and parotid fluid. Infect Immun. 1985 Apr;48(1):7-13. [PubMed:3980096 ]
  3. Landau BR, Chandramouli V, Schumann WC, Ekberg K, Kumaran K, Kalhan SC, Wahren J: Estimates of Krebs cycle activity and contributions of gluconeogenesis to hepatic glucose production in fasting healthy subjects and IDDM patients. Diabetologia. 1995 Jul;38(7):831-8. [PubMed:7556986 ]
  4. Shirokane Y, Nakajima M, Mizusawa K: A new enzymatic assay of urinary guanidinoacetic acid. Clin Chim Acta. 1991 Oct 31;202(3):227-36. [PubMed:1667626 ]
  5. Tannen RL: Ammonia metabolism. Am J Physiol. 1978 Oct;235(4):F265-77. [PubMed:29492 ]
  6. Atkin BM, Buist NR, Utter MF, Leiter AB, Banker BQ: Pyruvate carboxylase deficiency and lactic acidosis in a retarded child without Leigh's disease. Pediatr Res. 1979 Feb;13(2):109-16. [PubMed:219411 ]
  7. Matsumoto T, van der Auwera P, Watanabe Y, Tanaka M, Ogata N, Naito S, Kumazawa J: Neutrophil function in hyperosmotic NaCl is preserved by phosphoenol pyruvate. Urol Res. 1991;19(4):223-7. [PubMed:1656579 ]
  8. Momeni N, Yoshimoto T, Ryberg B, Sandberg-Wollheim M, Grubb A: Factors influencing analysis of prolyl endopeptidase in human blood and cerebrospinal fluid: increase in assay sensitivity. Scand J Clin Lab Invest. 2003;63(6):387-95. [PubMed:14594319 ]