CHEBI:36240 - 3α,7α,12β-trihydroxy-5β-cholanic acid

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ChEBI Name 3α,7α,12β-trihydroxy-5β-cholanic acid ChEBI ID CHEBI:36240 ChEBI ASCII Name 3alpha,7alpha,12beta-trihydroxy-5beta-cholanic 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 3α,7α,12β stereoisomer). Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:20224, CHEBI:1700, CHEBI:20212 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 408.57140 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-KRHHAYMPSA-N SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O Roles Classification 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 3α,7α,12β-trihydroxy-5β-cholanic acid (CHEBI:36240) has role human metabolite (CHEBI:77746) 3α,7α,12β-trihydroxy-5β-cholanic acid (CHEBI:36240) is a trihydroxy-5β-cholanic acid (CHEBI:27114) 3α,7α,12β-trihydroxy-5β-cholanic acid (CHEBI:36240) is conjugate acid of 3α,7α,12β-trihydroxy-5β-cholanate (CHEBI:15755) Incoming 3α,7α,12β-trihydroxy-5β-cholanate (CHEBI:15755) is conjugate base of 3α,7α,12β-trihydroxy-5β-cholanic acid (CHEBI:36240) IUPAC Name 3α,7α,12β-trihydroxy-5β-cholan-24-oic acid Synonyms Sources 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate KEGG COMPOUND 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid KEGG COMPOUND lagocholic acid HMDB Manual Xrefs Databases C04661 KEGG COMPOUND HMDB0000312 HMDB LMST04010085 LIPID MAPS View more database links Registry Numbers Types Sources 3222494 Beilstein Registry Number Beilstein 3222494 Reaxys Registry Number Reaxys Citations Types Sources 11316487 PubMed citation Europe PMC 16037564 PubMed citation Europe PMC Last Modified 04 August 2014