CHEBI:88102 - 3β,7α-dihydroxy-5β-cholan-24-oic acid

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ChEBI Name 3β,7α-dihydroxy-5β-cholan-24-oic acid ChEBI ID CHEBI:88102 ChEBI ASCII Name 3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid Definition A dihydroxy-5β-cholanic acid in which the two hydroxy groups are located at positions 3β and 7α. The 3β-hydroxy epimer of chenodeoxycholic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:81255 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(4-7-21(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/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1 InChIKey RUDATBOHQWOJDD-JGFDLHJZSA-N SMILES C1[C@@]2([C@]3(CC[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)[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-dihydroxy-5β-cholan-24-oic acid (CHEBI:88102) has role human metabolite (CHEBI:77746) 3β,7α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88102) is a 3β-hydroxy steroid (CHEBI:36836) 3β,7α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88102) is a 7α-hydroxy steroid (CHEBI:36843) 3β,7α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88102) is a bile acid (CHEBI:3098) 3β,7α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88102) is a dihydroxy-5β-cholanic acid (CHEBI:23775) 3β,7α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88102) is conjugate acid of 3β,7α-dihydroxy-5β-cholan-24-oate (CHEBI:87730) Incoming 3β,7α-dihydroxy-5β-cholan-24-oate (CHEBI:87730) is conjugate base of 3β,7α-dihydroxy-5β-cholan-24-oic acid (CHEBI:88102) IUPAC Name 3β,7α-dihydroxy-5β-cholan-24-oic acid Synonyms Sources (3β,5β,7α)-3,7-dihydroxycholan-24-oic acid IUPAC (3beta,5beta,7alpha)-3,7-Dihydroxycholan-24-oic acid ChemIDplus 3-epi-chenodeoxycholic acid ChEBI 3-epichenodeoxycholic acid ChEBI 3beta,7alpha-Dihydroxy-5beta-cholanic acid KEGG COMPOUND 3β-chenodeoxycholic acid ChEBI Isochenodeoxycholic acid KEGG COMPOUND Manual Xrefs Databases C17660 KEGG COMPOUND HMDB0000361 HMDB LMST04010034 LIPID MAPS View more database links Registry Numbers Types Sources 4710929 Reaxys Registry Number Reaxys 566-24-5 CAS Registry Number KEGG COMPOUND 566-24-5 CAS Registry Number ChemIDplus Citations Types Sources 10733557 PubMed citation Europe PMC 26192599 PubMed citation Europe PMC Last Modified 05 October 2015