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CHEBI:18021 - phosphoenolpyruvate

ChEBI IDCHEBI:18021
ChEBI Namephosphoenolpyruvate
Stars
ASCII Namephosphoenolpyruvate
DefinitionA monocarboxylic acid anion resuting from selective deprotonation of the carboxy group of phosphoenolpyruvic acid.
Secondary ChEBI IDsCHEBI:8147, CHEBI:14812, CHEBI:26054
Last Modified3 June 2014
DownloadsMolfile
FormulaC3H4O6P
Net Charge-1
Average Mass167.033
Monoisotopic Mass166.97510
SMILESC=C(OP(=O)(O)O)C(=O)[O-]
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)/p-1
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
fundamental metabolite  Any metabolite produced by all living cells.
ChEBI Ontology
Outgoing Relation(s)
phosphoenolpyruvate (CHEBI:18021) has functional parent acrylate (CHEBI:37080)
phosphoenolpyruvate (CHEBI:18021) has role fundamental metabolite (CHEBI:78675)
phosphoenolpyruvate (CHEBI:18021) has role human metabolite (CHEBI:77746)
phosphoenolpyruvate (CHEBI:18021) is a monocarboxylic acid anion (CHEBI:35757)
phosphoenolpyruvate (CHEBI:18021) is conjugate base of phosphoenolpyruvic acid (CHEBI:44897)
Incoming Relation(s)
phosphoenolpyruvic acid (CHEBI:44897) is conjugate acid of phosphoenolpyruvate (CHEBI:18021)
IUPAC Name 
2-(phosphonooxy)prop-2-enoate
Synonyms  Source
2-hydroxy-2-propenoate (dihydrogen phosphate) (ester)IUBMB
2-hydroxy-2-propenoate phosphate (ester)IUBMB
2-(phosphonooxy)-2-propenoateIUBMB
2-(phosphonooxy)acrylateChemIDplus
O-phosphono-enol-pyruvateIUBMB
PEPKEGG COMPOUND
Manual XrefsDatabases
C00074KEGG COMPOUND
PEPPDBeChem
Registry NumbersSources
Reaxys:3946007Reaxys
CAS:73-89-2ChemIDplus