2-hydroxyestrone 2-O-(beta-D-glucuronide) (CHEBI:137957)

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CHEBI:137957 - 2-hydroxyestrone 2-O-(β-D-glucuronide)

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ChEBI ID	CHEBI:137957
ChEBI Name	2-hydroxyestrone 2-O-(β-D-glucuronide)
Stars
ASCII Name	2-hydroxyestrone 2-O-(beta-D-glucuronide)
Definition	A steroid glucosiduronic acid that is 2-hydroxyestrone having a single β-D-glucuronic acid residue attached at position 2.
Last Modified	20 July 2017
Submitter	Steve
Downloads	Molfile

Formula	C24H30O9
Net Charge	0
Average Mass	462.495
Monoisotopic Mass	462.18898
SMILES	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3CC[C@@]21[H]
InChI	InChI=1S/C24H30O9/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/h8-9,11-12,14,18-21,23,25,27-29H,2-7H2,1H3,(H,30,31)/t11-,12+,14-,18-,19-,20+,21-,23+,24-/m0/s1
InChIKey	DQNRWYSYNOPGQY-FKYASPJISA-N

ChEBI Ontology

Outgoing Relation(s)
	2-hydroxyestrone 2-O-(β-D-glucuronide) (CHEBI:137957) has functional parent 2-hydroxyestrone (CHEBI:1156)
	2-hydroxyestrone 2-O-(β-D-glucuronide) (CHEBI:137957) is a 17-oxo steroid (CHEBI:19168)
	2-hydroxyestrone 2-O-(β-D-glucuronide) (CHEBI:137957) is a 3-hydroxy steroid (CHEBI:36834)
	2-hydroxyestrone 2-O-(β-D-glucuronide) (CHEBI:137957) is a steroid glucosiduronic acid (CHEBI:26763)
	2-hydroxyestrone 2-O-(β-D-glucuronide) (CHEBI:137957) is a β-D-glucosiduronic acid (CHEBI:15341)
	2-hydroxyestrone 2-O-(β-D-glucuronide) (CHEBI:137957) is conjugate acid of 2-hydroxyestrone 2-O-(β-D-glucuronide)(1−) (CHEBI:136968)
Incoming Relation(s)
Incoming Relation(s)	2-hydroxyestrone 2-O-(β-D-glucuronide)(1−) (CHEBI:136968) is conjugate base of 2-hydroxyestrone 2-O-(β-D-glucuronide) (CHEBI:137957)

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

Synonyms	Source
2-hydroxyestrone 2-β-glucuronide	ChEBI
2-hydroxyestrone 2-β-D-glucuronide	ChEBI
estrone 2-O-(β-D-glucuronic acid)	ChEBI
2-hydroxyestrone 2-glucuronide	ChEBI
2-OHE1 2G	ChEBI
2-hydroxyestrone 2-O-glucuronide	ChEBI

Registry Numbers	Sources
Reaxys:11305843	Reaxys

Citations