ChEBI


 10  9  0  0  0  0  0  0  0  0  2 V2000
   11.7222   -6.9716    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.9739   -6.9681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4774   -6.9716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7153   -7.7233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7153   -6.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3222   -6.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3222   -5.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6739   -6.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9739   -5.4750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6705   -5.4750    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  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
M  CHG  1   9  -1
M  END
> <ID>
CHEBI:18021

> <NAME>
phosphoenolpyruvate

> <DEFINITION>
A monocarboxylic acid anion resuting from selective deprotonation of the carboxy group of phosphoenolpyruvic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8147; CHEBI:14812; CHEBI:26054

> <SYNONYM>
phosphoenolpyruvate(1-); PHOSPHOENOLPYRUVATE; Phosphoenolpyruvate; PEP; O-phosphono-enol-pyruvate; 2-hydroxy-2-propenoate phosphate (ester); 2-hydroxy-2-propenoate (dihydrogen phosphate) (ester); 2-(phosphonooxy)acrylate; 2-(phosphonooxy)-2-propenoate

> <IUPAC_NAME>
2-(phosphonooxy)prop-2-enoate

> <FORMULA>
C3H4O6P

> <MASS>
167.03402

> <MONOISOTOPIC_MASS>
166.97510

> <CHARGE>
-1

> <SMILES>
OP(O)(=O)OC(=C)C([O-])=O

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

> <INCHIKEY>
DTBNBXWJWCWCIK-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
73-89-2

> <REAXYS_REGISTRY_NUMBER>
3946007

> <CHEMIDPLUS>
73-89-2

> <KEGG_COMPOUND_ACCESSION>
C00074

> <PDBECHEM_ACCESSION>
PEP

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