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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3β,7α-dihydroxy-5β-cholan-24-oic acid
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
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
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)
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
HMDB0000361 HMDB
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 Waiting for Citations Types Sources
10733557 PubMed citation Europe PMC
26192599 PubMed citation Europe PMC
Last Modified
05 October 2015