CHEBI:88098 - 3β,12α-dihydroxy-5β-cholan-24-oic acid

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ChEBI Name 3β,12α-dihydroxy-5β-cholan-24-oic acid ChEBI ID CHEBI:88098 ChEBI ASCII Name 3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid Definition A dihydroxy-5β-cholanic acid in which the two hydroxy groups are located at positions 3β and 12α. The 3β-hydroxy epimer of deoxycholic 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 C24H40O4 Net Charge 0 Average Mass 392.573 Monoisotopic Mass 392.29266 InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1 InChIKey KXGVEGMKQFWNSR-OFYXWCICSA-N SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)O)[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 3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) has role human metabolite (CHEBI:77746) 3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is a 12α-hydroxy steroid (CHEBI:36846) 3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is a 3β-hydroxy steroid (CHEBI:36836) 3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is a bile acid (CHEBI:3098) 3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is a dihydroxy-5β-cholanic acid (CHEBI:23775) 3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) is conjugate acid of 3β,12α-dihydroxy-5β-cholan-24-oate (CHEBI:87733) Incoming 3β,12α-dihydroxy-5β-cholan-24-oate (CHEBI:87733) is conjugate base of 3β,12α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88098) IUPAC Name 3β,12α-dihydroxy-5β-cholan-24-oic acid Synonyms Sources (3β,5β,12α)-3,12-dihydroxycholan-24-oic acid IUPAC 3-Epideoxycholic acid HMDB 3β-deoxycholic acid HMDB Isodeoxycholic acid LIPID MAPS Manual Xrefs Databases HMDB0000438 HMDB LMST04010042 LIPID MAPS View more database links Registry Numbers Types Sources 3219883 Reaxys Registry Number Reaxys 570-63-8 CAS Registry Number ChemIDplus Citations Types Sources 10733557 PubMed citation Europe PMC 14680217 PubMed citation Europe PMC 26192599 PubMed citation Europe PMC Last Modified 05 October 2015