CHEBI:57529 - 17α-estradiol 3-glucosiduronate

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ChEBI Name 17α-estradiol 3-glucosiduronate
ChEBI ID CHEBI:57529
ChEBI ASCII Name 17alpha-estradiol 3-glucosiduronate
Definition A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 17α-estradiol 3-glucosiduronic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H31O8
Net Charge -1
Average Mass 447.499
Monoisotopic Mass 447.20244
InChI InChI=1S/C24H32O8/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/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/p-1/t14-,15-,16+,17-,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey MUOHJTRCBBDUOW-FNUZHIFDSA-M
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@H](O)C1)C)[H])[H])[H]
ChEBI Ontology
Outgoing 17α-estradiol 3-glucosiduronate (CHEBI:57529) is a β-D-glucosiduronate (CHEBI:83411)
17α-estradiol 3-glucosiduronate (CHEBI:57529) is a monocarboxylic acid anion (CHEBI:35757)
17α-estradiol 3-glucosiduronate (CHEBI:57529) is a steroid glucosiduronic acid anion (CHEBI:136637)
17α-estradiol 3-glucosiduronate (CHEBI:57529) is conjugate base of 17α-estradiol 3-glucosiduronic acid (CHEBI:15822)
Incoming 17α-estradiol 3-glucosiduronic acid (CHEBI:15822) is conjugate acid of 17α-estradiol 3-glucosiduronate (CHEBI:57529)
IUPAC Name
17α-hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate
Synonym Source
17α-estradiol 3-O-(β-D-glucuronate) UniProt
Last Modified
19 October 2017