Terminology Service for NFDI4Health
JSON

hyodeoxycholic acid 24-O-(beta-D-glucuronide)(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_136903

A steroid glucuronide anion that is the conjugate base of hyodeoxycholic acid 24-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

Term info

Label

hyodeoxycholic acid 24-O-(beta-D-glucuronide)(1-)

Synonyms
  • 1-O-(3alpha,6alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronate
database cross reference
Subsets

3_STAR

IUPAC NAME
1-O-(3alpha,6alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronate [ IUPAC ]

charge

-1

formula

C30H47O10

has obo namespace

chebi_ontology

has related synonym

HDCA-24G(1-), 1-O-[(3alpha,5beta,6alpha)-3,6-dihydroxy-24-oxocholan-24-yl]-beta-D-glucopyranuronate, hyodeoxycholoyl-24-O-(beta-D-glucuronate)

id

CHEBI:136903

inchi

InChI=1S/C30H48O10/c1-14(4-7-22(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-16-13-21(32)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1

inchikey

GSKDKHGYQRRKMF-HHUAQUJWSA-M

mass

567.689

monoisotopicmass

567.31747

smiles

C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C[C@@H]([C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)=O)C)[H])[H])C)[H])C