CHEBI:88105 - 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid

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ChEBI Name 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid ChEBI ID CHEBI:88105 ChEBI ASCII Name 3beta,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid Definition A trihydroxy-5β-cholanic acid that is 5β-cholan-24-oic acid substituted by hydroxy groups at positions 3, 7 and 12 (the 3β,7α,12α stereoisomer). 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 C24H40O5 Net Charge 0 Average Mass 408.572 Monoisotopic Mass 408.28757 InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 InChIKey BHQCQFFYRZLCQQ-UXWVVXDJSA-N SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@H](C1)O)[H])O)[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,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) has role human metabolite (CHEBI:77746) 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a 12α-hydroxy steroid (CHEBI:36846) 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a 3β-hydroxy steroid (CHEBI:36836) 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a 7α-hydroxy steroid (CHEBI:36843) 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a bile acid (CHEBI:3098) 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is a trihydroxy-5β-cholanic acid (CHEBI:27114) 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) is conjugate acid of 3β,7α,12α-trihydroxy-5β-cholan-24-oate (CHEBI:87735) Incoming 3β,7α,12α-trihydroxy-5β-cholan-24-oate (CHEBI:87735) is conjugate base of 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid (CHEBI:88105) IUPAC Name 3β,7α,12α-trihydroxy-5β-cholan-24-oic acid Synonyms Sources (3β,5β,7α,12α)-3,7,12-trihydroxycholan-24-oic acid IUPAC 3-epi-cholic acid ChEBI 3-epicholic acid ChEBI 3β-cholic acid ChEBI isocholic acid ChEBI Manual Xrefs Databases HMDB0000419 HMDB LMST04010086 LIPID MAPS View more database links Registry Numbers Types Sources 3222497 Reaxys Registry Number Reaxys 3338-16-7 CAS Registry Number HMDB Citations Types Sources 26192599 PubMed citation Europe PMC 3468121 PubMed citation Europe PMC 3778926 PubMed citation Europe PMC Last Modified 05 October 2015