Terminology Service for NFDI4Health
JSON

hyodeoxycholic acid 6-O-(beta-D-glucuronide)

Go to external page http://purl.obolibrary.org/obo/CHEBI_137822

A steroid glucosiduronic acid that is hyodeoxycholic acid having a single beta-D-glucuronic acid residue attached at position 6.

Term info

Label

hyodeoxycholic acid 6-O-(beta-D-glucuronide)

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

3_STAR

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

charge

0

formula

C30H48O10

has alternative id

CHEBI:2241

has obo namespace

chebi_ontology

has related synonym

(3alpha,5beta,6alpha)-6-(beta-D-glucopyranuronosyloxy)-3-hydroxycholan-24-oic acid, Hdc-6-OG, hyodeoxycholic acid 6-(beta-D-glucuronide), Hyodeoxycholate-6-O-glucuronide, hyodeoxycholic acid 6-glucuronide, 3alpha,6alpha-dihydroxy-5beta-cholan-24-oic acid 6-D-glucuronide, hyodeoxycholic acid 6-beta-glucuronide, HDCA-6G, 6alpha-glucuronosylhyodeoxycholate

id

CHEBI:137822

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)/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1

inchikey

MAXKTGFGXCXJFY-HHUAQUJWSA-N

mass

568.697

monoisotopicmass

568.32475

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