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CHEBI:136900 - cholic acid 24-O-(β-D-glucuronide)(1−)

Default Structure
ChEBI IDCHEBI:136900
ChEBI Namecholic acid 24-O-(β-D-glucuronide)(1−)
Stars
ASCII Namecholic acid 24-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of cholic 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
FormulaC30H47O11
Net Charge-1
Average Mass583.695
Monoisotopic Mass583.31239
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([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([H])[C@H](O)C2
InChIInChI=1S/C30H48O11/c1-13(4-7-21(34)40-28-25(37)23(35)24(36)26(41-28)27(38)39)16-5-6-17-22-18(12-20(33)30(16,17)3)29(2)9-8-15(31)10-14(29)11-19(22)32/h13-20,22-26,28,31-33,35-37H,4-12H2,1-3H3,(H,38,39)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKeyAIUGVBWFKAVAIZ-SXYQVCRBSA-M
ChEBI Ontology
Outgoing Relation(s)
cholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136900) is a monocarboxylic acid anion (CHEBI:35757)
cholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136900) is a steroid glucosiduronic acid anion (CHEBI:136637)
cholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136900) is a β-D-glucosiduronate (CHEBI:83411)
cholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136900) is conjugate base of cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791)
Incoming Relation(s)
cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791) is conjugate acid of cholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136900)
IUPAC Name 
1-O-(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronate
Synonyms  Source
1-O-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronateIUPAC
CA-24G(1−)SUBMITTER
UniProt Name  Source
choloyl-24-O-(β-D-glucuronate)UniProt
Citations