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lithocholate

Go to external page http://purl.obolibrary.org/obo/CHEBI_29744

A bile acid anion that is the conjugate base of lithocholic acid.

Term info

Label

lithocholate

Synonyms
  • 3alpha-hydroxy-5beta-cholan-24-oate
  • lithocholate
database cross reference
Subsets

3_STAR

IUPAC NAME
3alpha-hydroxy-5beta-cholan-24-oate [ IUPAC ]

charge

-1

formula

C24H39O3

has alternative id

CHEBI:11905, CHEBI:25066, CHEBI:20237

has obo namespace

chebi_ontology

id

CHEBI:29744

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

mass

375.56466

monoisotopicmass

375.29047

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