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Details of Pregnane-3,20-dione, 5alpha-allo-

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Role	Metabolite
MPIMP ID	M001187
stereoisomer
isotopomer	ambient
formula	C21H32O2
molecular mass	316.478
monoisotopic mass	316.24023
InChI	InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey	XMRPGKVKISIQBV-BJMCWZGWSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%274c28dcdc-9872-4488-85f5-6d25c01e9a45%27)

Synonyms of Pregnane-3,20-dione, 5alpha-allo-

property	value
BRENDA	11556
ChEBI ID	ChEBI:28952
ChEBI ontology	has parent hydride 5alpha-pregnane
ChEBI ontology	is a 20-oxo steroid
ChEBI ontology	is a 3-oxo steroid
ChemSpider ID	83782
MetaCyc	CPD-293
PubChem CID	92810
PubChem SID	92297995
synonym	3,20-allopregnanedione
15 synonym(s)
Page of 2 Results per page:

Derivatives of Pregnane-3,20-dione, 5alpha-allo-

analyte	stereoisomer	isotopomer
Pregnane-3,20-dione, 5alpha-allo- (2MEOX) BP		ambient
Pregnane-3,20-dione, 5alpha-allo- (2MEOX) MP		ambient
2 analyte(s)

Reference substances of Pregnane-3,20-dione, 5alpha-allo-

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Pregnane-3,20-dione, 5alpha-allo-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Pregnane-3,20-dione, 5alpha-allo- 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 Pregnane-3,20-dione, 5alpha-allo- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/21/2009 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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