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

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ChEBI Name hyocholate 6-O-(β-D-glucuronide)(2−) ChEBI ID CHEBI:136906 ChEBI ASCII Name hyocholate 6-O-(beta-D-glucuronide)(2-) Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H46O11 Net Charge -2 Average Mass 582.681 Monoisotopic Mass 582.30511 InChI InChI=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 InChIKey XVNRNIWARCALGY-UAUNMXJXSA-L SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H]([C@@H]([C@@]2(C[C@@H](C1)O)[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)O)[H])(CC[C@@]4([C@@H](CCC(=O)[O-])C)[H])[H])C)[H])C ChEBI Ontology Outgoing 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 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 conjugate base of hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) Incoming 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 Sources (3α,5β,6α,7α)-6-(β-D-glucopyranuronosyloxy)-3,7-dihydroxycholan-24-oate IUPAC HCA-6G(2−) SUBMITTER hyocholate 6-O-(β-D-glucuronate) UniProt Citation Type Source 23756265 PubMed citation SUBMITTER Last Modified 12 July 2017