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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid ChEBI ID CHEBI:85357 ChEBI ASCII Name 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid Definition A 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid having 1E,4R stereochemistry. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H10O4 Net Charge 0 Average Mass 182.17330 Monoisotopic Mass 182.05791 InChI InChI=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 InChIKey MPMDLNLJFJLITQ-RBSILHGTSA-N SMILES O[C@@H]1CC\C(=C/C(=O)C(O)=O)C=C1 Metabolite of Species Details Bacillus subtilis (NCBI:txid1423) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 acid ChEBI Manual Xref Database CPD-17511 MetaCyc View more database links Registry Number Type Source 22690131 Reaxys Registry Number Reaxys Citation Type Source 23317005 PubMed citation Europe PMC Last Modified 05 July 2017