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Details of Estrone, 16alpha-hydroxy-

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Role	Metabolite
MPIMP ID	M001108
stereoisomer
isotopomer	ambient
formula	C18H22O3
molecular mass	286.366
monoisotopic mass	286.15690
InChI	InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1
InChIKey	WPOCIZJTELRQMF-QFXBJFAPSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2788b6090e-294b-4358-b2ce-bf627e048ad0%27)

Synonyms of Estrone, 16alpha-hydroxy-

property	value
BRENDA	8471
CAS	566-76-7
ChEBI ID	CHEBI:776
ChEBI ontology	has functional parent estrone
ChEBI ontology	is a 16alpha-hydroxy steroid
ChemSpider ID	103012
PubChem CID	115116
PubChem SID	24895817
PubChem SID	92298403
synonym	1,3,5(10)-Estratriene-3,16alpha-diol-17-one
16 synonym(s)
Page of 2 Results per page:

Derivatives of Estrone, 16alpha-hydroxy-

analyte	stereoisomer	isotopomer
Estrone, 16alpha-hydroxy- (1MEOX) (2TMS) MP		ambient
Estrone, 16alpha-hydroxy- (1MEOX) (2TMS) BP		ambient
2 analyte(s)

Reference substances of Estrone, 16alpha-hydroxy-

reference substance	supplier	supplier code	lot
Estrone, 16alpha-hydroxy-	Sigma	H8004	75H4059
1 reference substance(s)

Isotopomers and stereoisomers of Estrone, 16alpha-hydroxy-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Estrone, 16alpha-hydroxy- Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative Estrone, 16alpha-hydroxy- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/16/2009 by Strehmel N., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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