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Details of Estradiol, 17alpha-

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Role	Metabolite
MPIMP ID	M001093
stereoisomer
isotopomer	ambient
formula	C18H24O2
molecular mass	272.383
monoisotopic mass	272.17763
InChI	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey	VOXZDWNPVJITMN-SFFUCWETSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2723e54080-77c2-4457-a388-fcbce0b68c38%27)

Synonyms of Estradiol, 17alpha-

property	value
BRENDA	8573
CAS	57-91-0
ChEBI ID	ChEBI:17160
ChEBI ontology	is a 17alpha-hydroxy steroid
ChEBI ontology	is a estradiol
ChemSpider ID	61840
MetaCyc	CPD-351
PubChem CID	68570
PubChem SID	24894682
PubChem SID	92298710
19 synonym(s)
Page of 2 Results per page:

Derivatives of Estradiol, 17alpha-

analyte	stereoisomer	isotopomer
Estradiol, 17alpha- (2TMS)		ambient
1 analyte(s)

Reference substances of Estradiol, 17alpha-

reference substance	supplier	supplier code	lot
Estradiol, 17alpha-	Sigma	E8750	073K4057
1 reference substance(s)

Isotopomers and stereoisomers of Estradiol, 17alpha-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Estradiol, 17alpha- 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 Estradiol, 17alpha- 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 8/7/2013 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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