4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) (CHEBI:137911)

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CHEBI:137911 - 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)

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ChEBI ID	CHEBI:137911
ChEBI Name	4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)
Stars
ASCII Name	4-hydroxy-17beta-estradiol 3-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 3.
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[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3O)[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(32-23-20(29)18(27)19(28)21(33-23)22(30)31)17(26)13(10)3-2-12(11)14(24)5-7-16(24)25/h4,6,11-12,14,16,18-21,23,25-29H,2-3,5,7-9H2,1H3,(H,30,31)/t11-,12-,14+,16+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey	HGCOILRQOIIUJW-ICTMVFLBSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) has functional parent 4-hydroxy-17β-estradiol (CHEBI:62845)
	4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) is a 17β-hydroxy steroid (CHEBI:35343)
	4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) is a 4-hydroxy steroid (CHEBI:62846)
	4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) is a steroid glucosiduronic acid (CHEBI:26763)
	4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) is a β-D-glucosiduronic acid (CHEBI:15341)
	4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) is conjugate acid of 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936)
Incoming Relation(s)
Incoming Relation(s)	4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) is conjugate base of 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911)

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

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

Registry Numbers	Sources
Reaxys:24400664	Reaxys

Citations