CHEBI:82962 - sodium 17β-estradiol 17-glucosiduronate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sodium 17β-estradiol 17-glucosiduronate
ChEBI ID CHEBI:82962
ChEBI ASCII Name sodium 17beta-estradiol 17-glucosiduronate
Definition An organic sodium salt that has 17β-estradiol 17-glucosiduronate as the anion.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H31NaO8
Net Charge 0
Average Mass 470.48790
Monoisotopic Mass 470.19166
InChI InChI=1S/C24H32O8.Na/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30);/q;+1/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+;/m1./s1
InChIKey UQSHTUQZFYMYFO-VGYGJRAWSA-M
SMILES [Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O
ChEBI Ontology
Outgoing sodium 17β-estradiol 17-glucosiduronate (CHEBI:82962) has part 17β-estradiol 17-glucosiduronate (CHEBI:82961)
sodium 17β-estradiol 17-glucosiduronate (CHEBI:82962) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium (17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl β-D-glucopyranosiduronate
Synonym Source
sodium 17β-estradiol 17-glucuronate ChEBI
Registry Number Type Source
4100899 Reaxys Registry Number Reaxys
Last Modified
22 September 2014