17-epiestriol 16-O-(beta-D-glucuronide) (CHEBI:137706)

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CHEBI:137706 - 17-epiestriol 16-O-(β-D-glucuronide)

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ChEBI ID	CHEBI:137706
ChEBI Name	17-epiestriol 16-O-(β-D-glucuronide)
Stars
ASCII Name	17-epiestriol 16-O-(beta-D-glucuronide)
Definition	A steroid glucosiduronic acid that is 17-epiestriol having a single β-D-glucuronic acid residue attached at position 16.
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)ccc3[C@@]1([H])CC[C@]1(C)[C@H](O)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21[H]
InChI	InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/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	FQYGGFDZJFIDPU-PHEYUCJMSA-N

ChEBI Ontology

Outgoing Relation(s)
	17-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137706) has functional parent 17-epiestriol (CHEBI:42156)
	17-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137706) is a steroid glucosiduronic acid (CHEBI:26763)
	17-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137706) is a β-D-glucosiduronic acid (CHEBI:15341)
	17-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137706) is conjugate acid of 17-epiestriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136884)
Incoming Relation(s)
Incoming Relation(s)	17-epiestriol 16-O-(β-D-glucuronide)(1−) (CHEBI:136884) is conjugate base of 17-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137706)

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

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

Registry Numbers	Sources
Reaxys:23416852	Reaxys