16-epiestriol 3-O-(beta-D-glucuronide) (CHEBI:137720)

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CHEBI:137720 - 16-epiestriol 3-O-(β-D-glucuronide)

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ChEBI ID	CHEBI:137720
ChEBI Name	16-epiestriol 3-O-(β-D-glucuronide)
Stars
ASCII Name	16-epiestriol 3-O-(beta-D-glucuronide)
Definition	A steroid glucosiduronic acid that is 16-epiestriol having a single β-D-glucuronic acid residue attached at position 3.
Last Modified	10 July 2017
Submitter	Steve
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)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@@H](O)C[C@@]21[H]
InChI	InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16+,17+,18+,19-,20+,21+,23-,24+/m1/s1
InChIKey	UZKIAJMSMKLBQE-FFLBMIEMSA-N

ChEBI Ontology

Outgoing Relation(s)
	16-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137720) has functional parent 16β-hydroxyestradiol (CHEBI:87620)
	16-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137720) is a steroid glucosiduronic acid (CHEBI:26763)
	16-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137720) is a β-D-glucosiduronic acid (CHEBI:15341)
	16-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137720) is conjugate acid of 16-epiestriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136885)
Incoming Relation(s)
Incoming Relation(s)	16-epiestriol 3-O-(β-D-glucuronide)(1−) (CHEBI:136885) is conjugate base of 16-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137720)

IUPAC Name
16β,17β-dihydroxyestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronic acid

Synonyms	Source
16β,17β-estriol 3-β-D-glucuronide	ChEBI
(16β,17β)-16,17-dihydroxyestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronic acid	IUPAC
16β-hydroxyestradiol 3-β-D-glucuronide	ChEBI

Registry Numbers	Sources
Reaxys:23416856	Reaxys

Citations