Terminology Service for NFDI4Health
estrone 3-O-(beta-D-glucuronide)
Go to external page
http://purl.obolibrary.org/obo/CHEBI_28919
The 3-beta-D-glucuronide of estrone.
Term info
Label
estrone 3-O-(beta-D-glucuronide)
Synonyms
- 17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
Subsets
3_STAR
charge
0
formula
C24H30O8
has alternative id
CHEBI:42342, CHEBI:23973, CHEBI:4872
has obo namespace
chebi_ontology
has related synonym
Estrone glucuronide, estrone 3-glucosiduronic acid, Estrone 3-glucuronide, Estrone beta-D-glucuronide
id
CHEBI:28919
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)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1
inchikey
FJAZVHYPASAQKM-JBAURARKSA-N
mass
446.491
monoisotopicmass
446.19407
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]
Term relations
Subclass of:
- steroid glucosiduronic acid
- beta-D-glucosiduronic acid
- 17-oxo steroid
- has role some mouse metabolite
- has role some human metabolite
- has functional parent some estrone
- is conjugate acid of some estrone 3-O-(beta-D-glucuronide)(1-)
Related from: