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CHEBI:16325 - lithocholic acid

ChEBI IDCHEBI:16325
ChEBI Namelithocholic acid
Stars
DefinitionA monohydroxy-5β-cholanic acid with a α-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.
Secondary ChEBI IDsCHEBI:1711, CHEBI:20238, CHEBI:20239
Last Modified26 October 2021
DownloadsMolfile

FormulaC24H40O3
Net Charge0
Average Mass376.581
Monoisotopic Mass376.29775
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=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
InChIKeySMEROWZSTRWXGI-HVATVPOCSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (24399466)
Homo sapiens (ncbitaxon:9606) - PubMed (23639599)
Roles Classification

ChEBI Ontology
IUPAC Name 
3α-hydroxy-5β-cholan-24-oic acid
Synonyms  Source
3alpha-Hydroxy-5beta-cholanic acidKEGG COMPOUND
Lithocholic acidKEGG COMPOUND
(3α,5β)-3-hydroxycholan-24-oic acidChemIDplus
3α-hydroxy-5β-cholanic acidNIST Chemistry WebBook
3α-hydroxy-5β-cholanoic acidNIST Chemistry WebBook
5β-cholanic acid-3α-olNIST Chemistry WebBook
Manual XrefsDatabases
C03990KEGG COMPOUND
LMST04010003LIPID MAPS
CPD-7235MetaCyc
Lithocholic_acidWikipedia
4OAPDBeChem
HMDB0000761HMDB
LSM-5371LINCS
Registry NumbersSources
Reaxys:3217757Reaxys
CAS:434-13-9KEGG COMPOUND
CAS:434-13-9NIST Chemistry WebBook
CAS:434-13-9ChemIDplus
Citations