CHEBI:88097 - 7α-hydroxy-3-oxo-5β-cholan-24-oic acid

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ChEBI Name 7α-hydroxy-3-oxo-5β-cholan-24-oic acid ChEBI ID CHEBI:88097 ChEBI ASCII Name 7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid Definition A 3-oxo steroid that is chenodeoxycholic acid in which the hydroxy group at position 3 has undergone formal oxidation to the corresponding ketone. 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 C24H38O4 Net Charge 0 Average Mass 390.557 Monoisotopic Mass 390.27701 InChI InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,20-,22+,23+,24-/m1/s1 InChIKey KNVADAPHVNKTEP-CIGXQKLNSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(CC(C1)=O)[H])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 7α-hydroxy-3-oxo-5β-cholan-24-oic acid (CHEBI:88097) has role human metabolite (CHEBI:77746) 7α-hydroxy-3-oxo-5β-cholan-24-oic acid (CHEBI:88097) is a 3-oxo-5β-steroid (CHEBI:1624) 7α-hydroxy-3-oxo-5β-cholan-24-oic acid (CHEBI:88097) is a 7α-hydroxy steroid (CHEBI:36843) 7α-hydroxy-3-oxo-5β-cholan-24-oic acid (CHEBI:88097) is a bile acid (CHEBI:3098) 7α-hydroxy-3-oxo-5β-cholan-24-oic acid (CHEBI:88097) is a monohydroxy-5β-cholanic acid (CHEBI:36260) 7α-hydroxy-3-oxo-5β-cholan-24-oic acid (CHEBI:88097) is conjugate acid of 7α-hydroxy-3-oxo-5β-cholan-24-oate (CHEBI:87731) Incoming 7α-hydroxy-3-oxo-5β-cholan-24-oate (CHEBI:87731) is conjugate base of 7α-hydroxy-3-oxo-5β-cholan-24-oic acid (CHEBI:88097) IUPAC Name 7α-hydroxy-3-oxo-5β-cholan-24-oic acid Synonyms Sources (5β,7α)-7-hydroxy-3-oxocholan-24-oic acid IUPAC 3-dehydrochenodeoxycholic acid ChEBI 3-oxochenodeoxycholic acid ChEBI dehydrochenodeoxycholic acid ChEBI Manual Xref Database HMDB0000503 HMDB View more database links Registry Numbers Types Sources 3220624 Reaxys Registry Number Reaxys 4185-00-6 CAS Registry Number HMDB Citations Types Sources 18583509 PubMed citation Europe PMC 2864922 PubMed citation Europe PMC Last Modified 26 April 2017