CHEBI:137907 - 2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide)

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ChEBI Name 2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide)
ChEBI ID CHEBI:137907
ChEBI ASCII Name 2-hydroxy-17beta-estradiol 2-O-(beta-D-glucuronide)
Definition A steroid glucosiduronic acid that is 2-hydroxy-17β-estradiol having a single β-D-glucuronic acid residue attached at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H32O9
Net Charge 0
Average Mass 464.506
Monoisotopic Mass 464.20463
InChI InChI=1S/C24H32O9/c1-24-7-6-11-12(14(24)4-5-17(24)26)3-2-10-8-15(25)16(9-13(10)11)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8-9,11-12,14,17-21,23,25-29H,2-7H2,1H3,(H,30,31)/t11-,12+,14-,17-,18-,19-,20+,21-,23+,24-/m0/s1
InChIKey JWRIQYSRJXLEHG-OBRRSLBQSA-N
SMILES [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=3[C@@]4([C@]([C@]5([C@@]([C@@H](O)CC5)(CC4)C)[H])(CCC3C=C2O)[H])[H])O)O)O)C(=O)O
ChEBI Ontology
Outgoing 2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide) (CHEBI:137907) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744)
2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide) (CHEBI:137907) is a β-D-glucosiduronic acid (CHEBI:15341)
2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide) (CHEBI:137907) is a 17β-hydroxy steroid (CHEBI:35343)
2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide) (CHEBI:137907) is a 3-hydroxy steroid (CHEBI:36834)
2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide) (CHEBI:137907) is a steroid glucosiduronic acid (CHEBI:26763)
2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide) (CHEBI:137907) is conjugate acid of 2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide)(1−) (CHEBI:136933)
Incoming 2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide)(1−) (CHEBI:136933) is conjugate base of 2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide) (CHEBI:137907)
IUPAC Name
3,17β-dihydroxyestra-1,3,5(10)-trien-2-yl β-D-glucopyranosiduronic acid
Synonyms Sources
(17β)-3,17-dihydroxyestra-1,3,5(10)-trien-2-yl β-D-glucopyranosiduronic acid IUPAC
2-hydroxy-17β-estradiol 2-(β-D-glucuronide) ChEBI
2-hydroxy-17β-estradiol 2-β-glucuronide ChEBI
2-hydroxy-17β-estradiol 2-glucuronide ChEBI
2-hydroxyestradiol 2-glucuronide ChEBI
2-OHE2 2G ChEBI
Registry Number Type Source
24400663 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15472229 PubMed citation Europe PMC
Last Modified
17 July 2017