4-hydroxy-17beta-estradiol 4-O-(beta-D-glucuronide) (CHEBI:137917)

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CHEBI:137917 - 4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide)

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ChEBI ID	CHEBI:137917
ChEBI Name	4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide)
Stars
ASCII Name	4-hydroxy-17beta-estradiol 4-O-(beta-D-glucuronide)
Definition	A steroid glucosiduronic acid that is 4-hydroxy-17β-estradiol having a single β-D-glucuronic acid residue attached at position 4.
Last Modified	17 July 2017
Submitter	Steve
Downloads	Molfile

Formula	C24H32O9
Net Charge	0
Average Mass	464.511
Monoisotopic Mass	464.20463
SMILES	[H][C@@]12CCc3c(ccc(O)c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChI	InChI=1S/C24H32O9/c1-24-9-8-11-10-4-6-15(25)20(13(10)3-2-12(11)14(24)5-7-16(24)26)32-23-19(29)17(27)18(28)21(33-23)22(30)31/h4,6,11-12,14,16-19,21,23,25-29H,2-3,5,7-9H2,1H3,(H,30,31)/t11-,12-,14+,16+,17+,18+,19-,21+,23-,24+/m1/s1
InChIKey	YQYZVYZSWJLJHS-WJXPAFDLSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide) (CHEBI:137917) has functional parent 4-hydroxy-17β-estradiol (CHEBI:62845)
	4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide) (CHEBI:137917) is a 17β-hydroxy steroid (CHEBI:35343)
	4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide) (CHEBI:137917) is a 3-hydroxy steroid (CHEBI:36834)
	4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide) (CHEBI:137917) is a steroid glucosiduronic acid (CHEBI:26763)
	4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide) (CHEBI:137917) is a β-D-glucosiduronic acid (CHEBI:15341)
	4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide) (CHEBI:137917) is conjugate acid of 4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide)(1−) (CHEBI:136937)
Incoming Relation(s)
Incoming Relation(s)	4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide)(1−) (CHEBI:136937) is conjugate base of 4-hydroxy-17β-estradiol 4-O-(β-D-glucuronide) (CHEBI:137917)

IUPAC Name
3,17β-dihydroxyestra-1(10),2,4-trien-4-yl β-D-glucopyranosiduronic acid

Synonyms	Source
4-hydroxy-17β-estradiol 4-β-glucuronide	ChEBI
4-hydroxy-17β-estradiol 4-(β-D-glucuronide)	ChEBI
4-hydroxy-17β-estradiol 4-glucuronide	ChEBI
4-OHE2 4G	ChEBI
4-hydroxyestradiol 4-glucuronide	ChEBI
(17β)-3,17-dihydroxyestra-1(10),2,4-trien-4-yl β-D-glucopyranosiduronic acid	IUPAC

Registry Numbers	Sources
Reaxys:24400694	Reaxys

Citations