EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52023 - hyodeoxycholic acid

ChEBI IDCHEBI:52023
ChEBI Namehyodeoxycholic acid
Stars
DefinitionA member of the class of 5β-cholanic acids that is (5β)-cholan-24-oic acid substituted by α-hydroxy groups at positions 3 and 6. It is a bioactive compound extracted from Calculus bovis.
Last Modified9 July 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILES[H][C@@]12C[C@H](O)[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O
InChIInChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChIKeyDGABKXLVXPYZII-SIBKNCMHSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (23752203)
Homo sapiens (ncbitaxon:9606)
- PubMed (23756265)
blood serum (BTO:0000133) MetaboLights (MTBLS90)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
hyodeoxycholic acid (CHEBI:52023) has functional parent cholic acid (CHEBI:16359)
hyodeoxycholic acid (CHEBI:52023) has role human metabolite (CHEBI:77746)
hyodeoxycholic acid (CHEBI:52023) has role mouse metabolite (CHEBI:75771)
hyodeoxycholic acid (CHEBI:52023) is a 5β-cholanic acids (CHEBI:36248)
hyodeoxycholic acid (CHEBI:52023) is a 6α,20ξ-murideoxycholic acid (CHEBI:363227)
hyodeoxycholic acid (CHEBI:52023) is a bile acid (CHEBI:3098)
hyodeoxycholic acid (CHEBI:52023) is a C24-steroid (CHEBI:131620)
hyodeoxycholic acid (CHEBI:52023) is conjugate acid of hyodeoxycholate (CHEBI:58875)
Incoming Relation(s)
hyodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137812) has functional parent hyodeoxycholic acid (CHEBI:52023)
hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) has functional parent hyodeoxycholic acid (CHEBI:52023)
hyodeoxycholate (CHEBI:58875) is conjugate base of hyodeoxycholic acid (CHEBI:52023)
IUPAC Name 
3α,6α-dihydroxy-5β-cholan-24-oic acid
Synonyms  Source
6alpha-HydroxylithocholateSUBMITTER
3alpha,6alpha-Dihydroxy-5beta-cholanic acidSUBMITTER
Hyodesoxycholic acidChemIDplus
7-Deoxyhyocholic acidChemIDplus
Iodeoxycholic acidKEGG COMPOUND
6alpha-HydroxylithocholateKEGG COMPOUND
Manual XrefsDatabases
LMST04010024LIPID MAPS
Hyodeoxycholic_acidWikipedia
CPD-7284MetaCyc
HMDB0000733HMDB
C00030498KNApSAcK
C15517KEGG COMPOUND
FDB022211FooDB
DB11789DrugBank
Registry NumbersSources
Reaxys:3218394Reaxys
CAS:83-49-8ChemIDplus
CAS:83-49-8KEGG COMPOUND
Citations