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CHEBI:136784 - 3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvate

ChEBI IDCHEBI:136784
ChEBI Name3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvate
Stars
ASCII Name3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvate
DefinitionA tetrahydro-4-hydroxyphenylpyruvate obtained by deprotonation of the carboxy group of 3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid; major species at pH 7.3.
Last Modified5 July 2017
Submitternhn
DownloadsMolfile
FormulaC9H11O4
Net Charge-1
Average Mass183.183
Monoisotopic Mass183.06628
SMILESO=C([O-])C(=O)C[C@H]1C=C[C@H](O)CC1
InChIInChI=1S/C9H12O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,6-7,10H,2,4-5H2,(H,12,13)/p-1/t6-,7-/m0/s1
InChIKeyABMPOYCAXJZJJB-BQBZGAKWSA-M
ChEBI Ontology
Outgoing Relation(s)
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvate (CHEBI:136784) is a tetrahydro-4-hydroxyphenylpyruvate (CHEBI:64790)
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvate (CHEBI:136784) is conjugate base of 3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid (CHEBI:137660)
Incoming Relation(s)
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid (CHEBI:137660) is conjugate acid of 3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvate (CHEBI:136784)
IUPAC Name 
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-oxopropanoate
Synonym  Source
4S-H4HPPSUBMITTER
UniProt Name  Source
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvateUniProt
Manual XrefsDatabases
CPD-17549MetaCyc
Citations