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CHEBI:136902 - lithocholic acid 24-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136902
ChEBI Namelithocholic acid 24-O-(β-D-glucuronide)(1−)
Stars
ASCII Namelithocholic acid 24-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of lithocholic acid 24-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified11 July 2017
Submitternhn
DownloadsMolfile
FormulaC30H47O9
Net Charge-1
Average Mass551.697
Monoisotopic Mass551.32256
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@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=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)/p-1/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKeyYRGNGOBHHWKRFH-VYACWCJYSA-M
ChEBI Ontology
Outgoing Relation(s)
lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) is a monocarboxylic acid anion (CHEBI:35757)
lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) is a steroid glucosiduronic acid anion (CHEBI:136637)
lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) is a β-D-glucosiduronate (CHEBI:83411)
lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) is conjugate base of lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807)
Incoming Relation(s)
lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) is conjugate acid of lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902)
IUPAC Name 
1-O-(3α-hydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronate
Synonyms  Source
LCA-24G(1−)SUBMITTER
1-O-[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronateIUPAC
UniProt Name  Source
lithocholoyl-24-O-(β-D-glucuronate)UniProt
Citations