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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 Type Source 15472229 PubMed citation Europe PMC Last Modified 17 July 2017