CHEBI:89219 - 1b,3a,12a-Trihydroxy-5b-cholanoic acid

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ChEBI Name 1b,3a,12a-Trihydroxy-5b-cholanoic acid ChEBI ID CHEBI:89219 Stars This entity has been manually annotated by a third party. 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(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15+,16?,17?,18?,19?,20-,21+,23+,24-/m1/s1 InChIKey DAKYVYUAVGJDRK-LFMRMFNLSA-N SMILES C[C@H](CCC(O)=O)C1CCC2C3CCC4C[C@@H](C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@]12C)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed ChEBI Ontology Outgoing 1b,3a,12a-Trihydroxy-5b-cholanoic acid (CHEBI:89219) is a cholanoid (CHEBI:36078) Synonyms Sources (4R)-4-[(2S,3R,5S,15R,16S)-3,5,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid HMDB 1,3,12-Trihydroxy-(5b)-Cholan-24-oate HMDB 1,3,12-Trihydroxy-(5b)-Cholan-24-oic acid HMDB 1b,3a,12a-Trihydroxy-5b-cholan-24-oate HMDB 1b,3a,12a-Trihydroxy-5b-cholan-24-oic acid HMDB 1b,3a,12a-Trihydroxy-5b-cholanoate HMDB Manual Xref Database HMDB0000326 HMDB View more database links Registry Number Type Source 80434-32-8 CAS Registry Number KEGG COMPOUND Citations Types Sources 10203155 PubMed citation Europe PMC 12829005 PubMed citation Europe PMC 2621422 PubMed citation Europe PMC