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CHEBI:136906 - hyocholate 6-O-(β-D-glucuronide)(2−)

ChEBI IDCHEBI:136906
ChEBI Namehyocholate 6-O-(β-D-glucuronide)(2−)
Stars
ASCII Namehyocholate 6-O-(beta-D-glucuronide)(2-)
DefinitionA steroid glucuronide anion that is the conjugate base of hyocholic 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
FormulaC30H46O11
Net Charge-2
Average Mass582.687
Monoisotopic Mass582.30511
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)[O-])[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@]21[H]
InChIInChI=1S/C30H48O11/c1-13(4-7-19(32)33)15-5-6-16-20-17(9-11-29(15,16)2)30(3)10-8-14(31)12-18(30)25(21(20)34)40-28-24(37)22(35)23(36)26(41-28)27(38)39/h13-18,20-26,28,31,34-37H,4-12H2,1-3H3,(H,32,33)(H,38,39)/p-2/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23+,24-,25-,26+,28-,29-,30-/m1/s1
InChIKeyXVNRNIWARCALGY-UAUNMXJXSA-L
ChEBI Ontology
Outgoing Relation(s)
hyocholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136906) is a dicarboxylic acid dianion (CHEBI:28965)
hyocholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136906) is a steroid glucosiduronic acid anion (CHEBI:136637)
hyocholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136906) is a β-D-glucosiduronate (CHEBI:83411)
hyocholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136906) is conjugate base of hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829)
Incoming Relation(s)
hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) is conjugate acid of hyocholate 6-O-(β-D-glucuronide)(2−) (CHEBI:136906)
IUPAC Name 
6α-(β-D-glucopyranuronosyloxy)-3α,7α-dihydroxy-5β-cholan-24-oate
Synonyms  Source
HCA-6G(2−)SUBMITTER
(3α,5β,6α,7α)-6-(β-D-glucopyranuronosyloxy)-3,7-dihydroxycholan-24-oateIUPAC
UniProt Name  Source
hyocholate 6-O-(β-D-glucuronate)UniProt
Citations