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CHEBI:137660 - 3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid

Default Structure
ChEBI IDCHEBI:137660
ChEBI Name3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid
Stars
ASCII Name3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid
DefinitionA tetrahydro-4-hydroxyphenylpyruvic acid with (1S,4R)-stereochemistry.
Last Modified5 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC9H12O4
Net Charge0
Average Mass184.191
Monoisotopic Mass184.07356
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)/t6-,7-/m0/s1
InChIKeyABMPOYCAXJZJJB-BQBZGAKWSA-N
Species of MetaboliteComponentSourceComments
Bacillus subtilis (ncbitaxon:1423) - PubMed (22765234)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid (CHEBI:137660) has role bacterial metabolite (CHEBI:76969)
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid (CHEBI:137660) is a tetrahydro-4-hydroxyphenylpyruvic acid (CHEBI:64808)
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)
Incoming Relation(s)
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)
IUPAC Name 
3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]-2-oxopropanoic acid
Synonyms  Source
(1S,4R)-tetrahydro-4-hydroxyphenylpyruvic acidChEBI
4S-H4HPPChEBI
Manual XrefsDatabases
CPD-17549MetaCyc
Citations