CHEBI:81256 - isodeoxycholic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isodeoxycholic acid
ChEBI ID CHEBI:81256
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H40O4
Net Charge 0
Average Mass 392.573
Monoisotopic Mass 392.29266
InChI InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/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 ZHCAAZIHTDCFJX-QLEQUTGBSA-N
SMILES C1CC[C@@]2([C@](C1)([C@@]3([C@@]([C@@H](C2)O)([C@]4([C@]([C@H](C3)O)([C@](CC4)([C@H](C)CCC(O)=O)[H])C)[H])[H])[H])C)[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
ChEBI Ontology
Outgoing isodeoxycholic acid (CHEBI:81256) is a cholanoid (CHEBI:36078)
Synonyms Sources
(4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid HMDB
3-Deoxycholic acid HMDB
7a,12a-Dihydroxy-5b-Cholan-24-oate HMDB
7a,12a-Dihydroxy-5b-Cholan-24-oic acid HMDB
7a,12a-Dihydroxy-5b-cholanic acid HMDB
7a,12a-Dihydroxy-5b-cholanoate HMDB
7a,12a-Dihydroxy-5b-cholanoic acid HMDB
7a,12a-Dihydroxycholanoate HMDB
7a,12a-Dihydroxycholanoic acid HMDB
7alpha,12alpha-Dihydroxy-5beta-cholan-24-oate HMDB
7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid HMDB
7alpha,12alpha-Dihydroxy-5beta-cholanic acid KEGG COMPOUND
7alpha,12alpha-Dihydroxycholanoic acid KEGG COMPOUND
Isodeoxycholic acid KEGG COMPOUND
Manual Xrefs Databases
C17661 KEGG COMPOUND
HMDB0002536 HMDB
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Registry Number Type Source
566-17-6 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
11316487 PubMed citation Europe PMC
11907135 PubMed citation Europe PMC
12576301 PubMed citation Europe PMC
16037564 PubMed citation Europe PMC
24284963 PubMed citation Europe PMC
3667743 PubMed citation Europe PMC
Last Modified
23 October 2015