CHEBI:88112 - 3-oxochola-4,6-dien-24-oic acid

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ChEBI Name 3-oxochola-4,6-dien-24-oic acid ChEBI ID CHEBI:88112 Definition A 3-oxo Δ4-steroid that is the 3-oxo derivative of chola-4,6-dien-24-oic acid. 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 C24H34O3 Net Charge 0 Average Mass 370.526 Monoisotopic Mass 370.25079 InChI InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,14-15,18-21H,4,7-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1 InChIKey CREVIXFSUWYGRJ-IHMUCKAYSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C=CC2=CC(C1)=O)[H])(CC[C@@]4([C@@H](CCC(=O)O)C)[H])[H])C)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) 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): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-oxochola-4,6-dien-24-oic acid (CHEBI:88112) has functional parent chola-4,6-dien-24-oic acid (CHEBI:49277) 3-oxochola-4,6-dien-24-oic acid (CHEBI:88112) has role human metabolite (CHEBI:77746) 3-oxochola-4,6-dien-24-oic acid (CHEBI:88112) is a 3-oxo-Δ4 steroid (CHEBI:47909) 3-oxochola-4,6-dien-24-oic acid (CHEBI:88112) is a bile acid (CHEBI:3098) 3-oxochola-4,6-dien-24-oic acid (CHEBI:88112) is conjugate acid of 3-oxochola-4,6-dien-24-oate (CHEBI:87748) Incoming 3-oxochola-4,6-dien-24-oate (CHEBI:87748) is conjugate base of 3-oxochola-4,6-dien-24-oic acid (CHEBI:88112) IUPAC Name 3-oxochola-4,6-dien-24-oic acid Synonym Source 3-Oxo-4,6-choladienoic acid HMDB Manual Xrefs Databases HMDB0000476 HMDB LMST04010235 LIPID MAPS View more database links Registry Numbers Types Sources 4269971 Reaxys Registry Number Reaxys 88179-71-9 CAS Registry Number HMDB Citation Type Source 8808760 PubMed citation Europe PMC Last Modified 06 October 2015