Terminology Service for NFDI4Health
JSON

estrone 3-O-(beta-D-glucuronide)(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_136634

A steroid glucuronide anion that is the conjugate base of estrone 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.

Term info

Label

estrone 3-O-(beta-D-glucuronide)(1-)

Synonyms
  • 17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronate
database cross reference
Subsets

3_STAR

IUPAC NAME
17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronate [ IUPAC ]

charge

-1

formula

C24H29O8

has obo namespace

chebi_ontology

has related synonym

estrone 3-O-(beta-D-glucuronate)

id

CHEBI:136634

inchi

InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/p-1/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1

inchikey

FJAZVHYPASAQKM-JBAURARKSA-M

mass

445.483

monoisotopicmass

445.18679

smiles

C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)C=C4)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]