CHEBI:82961 - 17β-estradiol 17-glucosiduronate

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ChEBI Name 17β-estradiol 17-glucosiduronate
ChEBI ID CHEBI:82961
ChEBI ASCII Name 17beta-estradiol 17-glucosiduronate
Definition A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 17β-estradiol 17-glucosiduronic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H31O8
Net Charge -1
Average Mass 447.49870
Monoisotopic Mass 447.20244
InChI InChI=1S/C24H32O8/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)/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey MTKNDAQYHASLID-QXYWQCSFSA-M
SMILES 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 17β-estradiol 17-glucosiduronate (CHEBI:82961) is a β-D-glucosiduronate (CHEBI:83411)
17β-estradiol 17-glucosiduronate (CHEBI:82961) is a estrane conjugate (CHEBI:167107)
17β-estradiol 17-glucosiduronate (CHEBI:82961) is a monocarboxylic acid anion (CHEBI:35757)
17β-estradiol 17-glucosiduronate (CHEBI:82961) is a steroid glucosiduronic acid anion (CHEBI:136637)
17β-estradiol 17-glucosiduronate (CHEBI:82961) is conjugate base of 17β-estradiol 17-glucosiduronic acid (CHEBI:791)
Incoming sodium 17β-estradiol 17-glucosiduronate (CHEBI:82962) has part 17β-estradiol 17-glucosiduronate (CHEBI:82961)
17β-estradiol 17-glucosiduronic acid (CHEBI:791) is conjugate acid of 17β-estradiol 17-glucosiduronate (CHEBI:82961)
IUPAC Name
(17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl β-D-glucopyranosiduronate
Synonyms Sources
17β-estradiol 17-glucuronate ChEBI
17β-estradiol 17-O-(β-D-glucuronate) UniProt
Last Modified
10 April 2017