GOLM METABOLOME DATABASE

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Details of Estrone

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Role	Metabolite
MPIMP ID	M001095
stereoisomer
isotopomer	ambient
formula	C18H22O2
molecular mass	270.367
monoisotopic mass	270.16198
InChI	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey	DNXHEGUUPJUMQT-CBZIJGRNSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2786c77018-146d-4603-acea-ca0d8c4f1e2c%27)

Synonyms of Estrone

property	value
BRENDA	8457
CAS	53-16-7
ChEBI ID	ChEBI:17263
ChEBI ontology	has parent hydride estrane
ChEBI ontology	has role antineoplastic agent
ChEBI ontology	has role bone density conservation agent
ChEBI ontology	is a 17-oxo steroid
ChEBI ontology	is a estrogen
ChemSpider ID	5660
MetaCyc	ESTRONE
22 synonym(s)
Page of 3 Results per page:

Derivatives of Estrone

analyte	stereoisomer	isotopomer
Estrone (1MEOX) (1TMS) MP		ambient
Estrone (1TMS)		ambient
Estrone (1MEOX) (1TMS) BP		ambient
3 analyte(s)

Reference substances of Estrone

reference substance	supplier	supplier code	lot
Estrone	Sigma	E9750	19H0775
Estrone	Sigma	E9750	044K0799
2 reference substance(s)

Isotopomers and stereoisomers of Estrone

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Estrone 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 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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