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lithocholic acid 24-O-(beta-D-glucuronide)

Go to external page http://purl.obolibrary.org/obo/CHEBI_137807

A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of lithodeoxycholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.

Term info

Label

lithocholic acid 24-O-(beta-D-glucuronide)

Synonyms
  • 1-O-(3alpha-hydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
1-O-(3alpha-hydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid [ IUPAC ]

charge

0

formula

C30H48O9

has obo namespace

chebi_ontology

has related synonym

lithocholic acid 24-glucuronide, lithocholic acid 24-beta-D-glucuronide, LCA-24G, lithocholic acid 24-beta-glucuronide, lithocholic acid 24-glucuronic acid, 1-O-[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]-beta-D-glucopyranuronic acid

id

CHEBI:137807

inchi

InChI=1S/C30H48O9/c1-15(4-9-22(32)38-28-25(35)23(33)24(34)26(39-28)27(36)37)19-7-8-20-18-6-5-16-14-17(31)10-12-29(16,2)21(18)11-13-30(19,20)3/h15-21,23-26,28,31,33-35H,4-14H2,1-3H3,(H,36,37)/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1

inchikey

YRGNGOBHHWKRFH-VYACWCJYSA-N

mass

552.698

monoisotopicmass

552.32983

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[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)=O)C)[H])[H])C)[H])C