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

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ChEBI Name hyodeoxycholate 6-O-(β-D-glucuronide)(2−) ChEBI ID CHEBI:136905 ChEBI ASCII Name hyodeoxycholate 6-O-(beta-D-glucuronide)(2-) Definition A 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. 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 C30H46O10 Net Charge -2 Average Mass 566.681 Monoisotopic Mass 566.31019 InChI InChI=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 InChIKey MAXKTGFGXCXJFY-HHUAQUJWSA-L SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C[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)[H])(CC[C@@]4([C@@H](CCC(=O)[O-])C)[H])[H])C)[H])C ChEBI Ontology Outgoing 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 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 conjugate base of hyodeoxycholic acid 6-O-(β-D-glucuronide) (CHEBI:137822) Incoming 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 Sources (3α,5β,6α)-6-(β-D-glucopyranuronosyloxy)-3-hydroxycholan-24-oate IUPAC HDCA-6G(2−) SUBMITTER hyodeoxycholate 6-O-(β-D-glucuronate) UniProt Citation Type Source 23756265 PubMed citation SUBMITTER Last Modified 12 July 2017