CHEBI:29744 - lithocholate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name lithocholate
ChEBI ID CHEBI:29744
Definition A bile acid anion that is the conjugate base of lithocholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11905, CHEBI:20237, CHEBI:25066
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C24H39O3
Net Charge -1
Average Mass 375.56466
Monoisotopic Mass 375.29047
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)/p-1/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey SMEROWZSTRWXGI-HVATVPOCSA-M
SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC([O-])=O)[C@@]1(C)CC[C@@H](O)C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing lithocholate (CHEBI:29744) has role human metabolite (CHEBI:77746)
lithocholate (CHEBI:29744) has role mouse metabolite (CHEBI:75771)
lithocholate (CHEBI:29744) is a bile acid anion (CHEBI:36235)
lithocholate (CHEBI:29744) is a cholanic acid anion (CHEBI:131878)
lithocholate (CHEBI:29744) is conjugate base of lithocholic acid (CHEBI:16325)
Incoming lithocholate-3-O-β-D-glucoside(1−) (CHEBI:142611) has functional parent lithocholate (CHEBI:29744)
lithocholic acid (CHEBI:16325) is conjugate acid of lithocholate (CHEBI:29744)
IUPAC Name
3α-hydroxy-5β-cholan-24-oate
Synonym Source
lithocholate UniProt
Registry Number Type Source
8241304 Reaxys Registry Number Reaxys
Last Modified
20 April 2015