CHEBI:81253 - isolithocholic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isolithocholic acid
Definition A monohydroxy-5β-cholanic acid with a β-hydroxy substituent at position 3. The 3β-hydroxy epimer of lithocholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:88092
Supplier Information
Download Molfile XML SDF
Formula C24H40O3
Net Charge 0
Average Mass 376.574
Monoisotopic Mass 376.29775
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
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).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isolithocholic acid (CHEBI:81253) has role human metabolite (CHEBI:77746)
isolithocholic acid (CHEBI:81253) has role rat metabolite (CHEBI:86264)
isolithocholic acid (CHEBI:81253) has role xenobiotic metabolite (CHEBI:76206)
isolithocholic acid (CHEBI:81253) is a 3β-hydroxy steroid (CHEBI:36836)
isolithocholic acid (CHEBI:81253) is a bile acid (CHEBI:3098)
isolithocholic acid (CHEBI:81253) is a C24-steroid (CHEBI:131620)
isolithocholic acid (CHEBI:81253) is a monohydroxy-5β-cholanic acid (CHEBI:36260)
isolithocholic acid (CHEBI:81253) is conjugate acid of isolithocholate (CHEBI:87728)
Incoming isolithocholate (CHEBI:87728) is conjugate base of isolithocholic acid (CHEBI:81253)
3β-hydroxy-5β-cholan-24-oic acid
Synonyms Sources
(3β,5β)-3-hydroxycholan-24-oic acid IUPAC
(3beta,5beta)-3-Hydroxycholan-24-oic acid ChemIDplus
3-Epilithocholic acid KEGG COMPOUND
3beta-Hydroxy-5beta-cholan-24-oic acid KEGG COMPOUND
3β-lithocholic acid ChEBI
beta-Lithocholanic acid KEGG COMPOUND
beta-Lithocholic acid KEGG COMPOUND
Manual Xrefs Databases
HMDB0000713 HMDB
View more database links
Registry Numbers Types Sources
1534-35-6 CAS Registry Number ChemIDplus
3217758 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1011939 PubMed citation Europe PMC
10214695 PubMed citation Europe PMC
18039809 PubMed citation Europe PMC
24845039 PubMed citation Europe PMC
2932163 PubMed citation Europe PMC
3120571 PubMed citation Europe PMC
3778926 PubMed citation Europe PMC
Last Modified
02 October 2015