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hyodeoxycholate 6-O-(beta-D-glucuronide)(2-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_136905

A steroid glucuronide anion that is the conjugate base of hyodeoxycholic acid 6-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.

Term info

Label

hyodeoxycholate 6-O-(beta-D-glucuronide)(2-)

Synonyms
  • 6alpha-(beta-D-glucopyranuronosyloxy)-3alpha-hydroxy-5beta-cholan-24-oate
database cross reference
Subsets

3_STAR

IUPAC NAME
6alpha-(beta-D-glucopyranuronosyloxy)-3alpha-hydroxy-5beta-cholan-24-oate [ IUPAC ]

charge

-2

formula

C30H46O10

has obo namespace

chebi_ontology

has related synonym

(3alpha,5beta,6alpha)-6-(beta-D-glucopyranuronosyloxy)-3-hydroxycholan-24-oate, hyodeoxycholate 6-O-(beta-D-glucuronate), HDCA-6G(2-)

id

CHEBI:136905

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

mass

566.681

monoisotopicmass

566.31019

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