2-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) (CHEBI:137837)

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CHEBI:137837 - 2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)

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ChEBI ID	CHEBI:137837
ChEBI Name	2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)
Stars
ASCII Name	2-hydroxy-17beta-estradiol 3-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 3.
Last Modified	13 July 2017
Downloads	Molfile

Formula	C24H32O9
Net Charge	0
Average Mass	464.511
Monoisotopic Mass	464.20463
SMILES	[H][C@@]12CCc3cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChI	InChI=1S/C24H32O9/c1-24-7-6-11-12(14(24)4-5-17(24)26)3-2-10-8-16(15(25)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	JHQREQGUZKWDML-OBRRSLBQSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744)
	2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837) is a 17β-hydroxy steroid (CHEBI:35343)
	2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837) is a 2-hydroxy steroid (CHEBI:36857)
	2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837) is a steroid glucosiduronic acid (CHEBI:26763)
	2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837) is a β-D-glucosiduronic acid (CHEBI:15341)
	2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837) is conjugate acid of 2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136931)
Incoming Relation(s)
Incoming Relation(s)	2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136931) is conjugate base of 2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837)

IUPAC Name
2,17β-dihydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid

Synonyms	Source
2-hydroxy-17β-estradiol 3-β-glucuronide	ChEBI
2-hydroxy-17β-estradiol 3-O-(β-D-glucuronic acid)	ChEBI
2-hydroxy-17β-estradiol 3-glucuronide	ChEBI
2-OHE2 3G	ChEBI
2-hydroxy-17β-estradiol 3-(β-D-glucuronide)	ChEBI
2-hydroxyestradiol 3-glucuronide	ChEBI

Registry Numbers	Sources
Reaxys:20544763	Reaxys

Citations