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CHEBI:85357 - 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid

ChEBI IDCHEBI:85357
ChEBI Name3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid
Stars
ASCII Name3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid
DefinitionA 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid having 1E,4R stereochemistry.
Last Modified5 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC9H10O4
Net Charge0
Average Mass182.175
Monoisotopic Mass182.05791
SMILESO=C(O)C(=O)/C=C1/C=C[C@H](O)CC1
InChIInChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,5,7,10H,2,4H2,(H,12,13)/b6-5-/t7-/m0/s1
InChIKeyMPMDLNLJFJLITQ-RBSILHGTSA-N
Species of MetaboliteComponentSourceComments
Bacillus subtilis (ncbitaxon:1423) - PubMed (23317005)
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-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid (CHEBI:85357) has role bacterial metabolite (CHEBI:76969)
3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid (CHEBI:85357) is a 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid (CHEBI:64942)
3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid (CHEBI:85357) is conjugate acid of 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate (CHEBI:84355)
Incoming Relation(s)
3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate (CHEBI:84355) is conjugate base of 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid (CHEBI:85357)
IUPAC Name 
(3E)-3-[(4R)-4-hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoic acid
Synonym  Source
3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoic acidChEBI
Manual XrefsDatabases
CPD-17511MetaCyc
Registry NumbersSources
Reaxys:22690131Reaxys
Citations