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CHEBI:136905 - hyodeoxycholate 6-O-(β-D-glucuronide)(2−)

ChEBI IDCHEBI:136905
ChEBI Namehyodeoxycholate 6-O-(β-D-glucuronide)(2−)
Stars
ASCII Namehyodeoxycholate 6-O-(beta-D-glucuronide)(2-)
DefinitionA steroid glucuronide anion that is the conjugate base of hyodeoxycholic acid 6-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.
Last Modified12 July 2017
Submitternhn
DownloadsMolfile
FormulaC30H46O10
Net Charge-2
Average Mass566.688
Monoisotopic Mass566.31019
SMILES[H][C@@]12C[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)[O-]
InChIInChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/p-2/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1
InChIKeyMAXKTGFGXCXJFY-HHUAQUJWSA-L
ChEBI Ontology
Outgoing Relation(s)
hyodeoxycholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136905) is a dicarboxylic acid dianion (CHEBI:28965)
hyodeoxycholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136905) is a steroid glucosiduronic acid anion (CHEBI:136637)
hyodeoxycholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136905) is a β-D-glucosiduronate (CHEBI:83411)
hyodeoxycholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136905) is conjugate base of hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822)
Incoming Relation(s)
hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) is conjugate acid of hyodeoxycholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136905)
IUPAC Name 
6α-(β-D-glucopyranuronosyloxy)-3α-hydroxy-5β-cholan-24-oate
Synonyms  Source
HDCA-6G(2−)SUBMITTER
(3α,5β,6α)-6-(β-D-glucopyranuronosyloxy)-3-hydroxycholan-24-oateIUPAC
UniProt Name  Source
hyodeoxycholate 6-O-(β-D-glucuronate)UniProt
Citations