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2479-90-5

2479-90-5 Structure

2479-90-5 Structure
IdentificationBack Directory
[Name]

1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3(O->1BETA)-D-GLYCOPYRANOSIDURONIC ACID
[CAS]

2479-90-5
[Synonyms]

C11133
ESTRONE GLUCURONIDE
Estrone Impurity 22
Estrone-β-Glucuronide
Estrone b-Glucuronide
ESTRONE-3-GLUCURONIDE
Estrone -D-Glucuronide
Estrone-D4 Glucuronide
Estrone Monoglucuronide
Estrone b-D-Glucuronide
Estrone Glucosiduronate
ESTRONE-BETA-GLUCURONIDE
Estrone beta-D-glucuronide
Estrone 3-O-β-D-glucuronide
estrone 3-O-(β-D-glucuronide)
Estrone β-D-Glucuronide (Estrone-3-Glucuronide)
1,3,5(10)-ESTRATRIEN-3-OL-17-ONE GLUCOSIDURONATE
Estrone-3-Glucuronide (Estrone beta-D-Glucuronide)
Estrone β-D-Glucuronide DISCONTINUED. Please see E889055
17-Oxoestra-1,3,5(10)-trien-3-yl -D-Glucopyranosiduronic Acid
17-Oxoestra-1,3,5(10)-trien-3-yl b-D-Glucopyranosiduronic Acid
β-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10)-trien-3-yl
1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3(O->1BETA)-D-GLYCOPYRANOSIDURONIC ACID
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8S,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
[Molecular Formula]

C24H30O8
[MDL Number]

MFCD00271560
[MOL File]

2479-90-5.mol
[Molecular Weight]

446.49
Chemical PropertiesBack Directory
[Melting point ]

254.5
[Boiling point ]

703.8±60.0 °C(Predicted)
[density ]

1.419±0.06 g/cm3(Predicted)
[form ]

powder
[pka]

2.80±0.70(Predicted)
[color ]

white to off-white
[Major Application]

metabolomics
[InChIKey]

FJAZVHYPASAQKM-JBAURARKSA-N
[SMILES]

C[C@@]12[C@](CCC2=O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O)O)O)C=C4CC3
[EPA Substance Registry System]

.beta.-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10)-trien-3-yl (2479-90-5)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P302+P352-P362+P364
[HS Code ]

2938909090
Hazard InformationBack Directory
[Uses]

A metabolite of 17 -Estradiol
[Uses]

Estrone β-D-Glucuronide is a metabolite of 17β -Estradiol (E888000), the major estrogen (1) secreted by the premenopausal ovary (2).
[Definition]

ChEBI: Estrone 3-O-(beta-D-glucuronide) is the 3-beta-D-glucuronide of estrone. It has a role as a human metabolite and a mouse metabolite. It is a 17-oxo steroid, a beta-D-glucosiduronic acid and a steroid glucosiduronic acid. It is functionally related to an estrone. It is a conjugate acid of an estrone 3-O-(beta-D-glucuronide)(1-).
[IC 50]

Human Endogenous Metabolite
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