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CHEBI:136901 - deoxycholic acid 24-O-(β-D-glucuronide)(1−)

ChEBI IDCHEBI:136901
ChEBI Namedeoxycholic acid 24-O-(β-D-glucuronide)(1−)
Stars
ASCII Namedeoxycholic acid 24-O-(beta-D-glucuronide)(1-)
DefinitionA steroid glucuronide anion that is the conjugate base of deoxycholic 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
FormulaC30H47O10
Net Charge-1
Average Mass567.696
Monoisotopic Mass567.31747
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[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/C30H48O10/c1-14(4-9-22(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)18-7-8-19-17-6-5-15-12-16(31)10-11-29(15,2)20(17)13-21(32)30(18,19)3/h14-21,23-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKeyMZVCLCMWDVOQAH-GYSLYLNXSA-M
ChEBI Ontology
Outgoing Relation(s)
deoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136901) is a monocarboxylic acid anion (CHEBI:35757)
deoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136901) is a steroid glucosiduronic acid anion (CHEBI:136637)
deoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136901) is a β-D-glucosiduronate (CHEBI:83411)
deoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136901) is conjugate base of deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799)
Incoming Relation(s)
deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799) is conjugate acid of deoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136901)
IUPAC Name 
1-O-(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronate
Synonyms  Source
DCA-24G(1−)SUBMITTER
1-O-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronateIUPAC
UniProt Name  Source
deoxycholoyl-24-O-(β-D-glucuronate)UniProt
Citations