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Details of Pregn-4-ene-20alpha-ol-3-one

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Role	Metabolite
MPIMP ID	M001134
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/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey	RWBRUCCWZPSBFC-RXRZZTMXSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27e053c2fd-57c6-4220-8146-5c7437a4e7c2%27)

Synonyms of Pregn-4-ene-20alpha-ol-3-one

property	value
BRENDA	84396
ChEBI ID	ChEBI:28453
ChEBI ontology	is a 20-hydroxypregn-4-en-3-one
ChemSpider ID	8612
PubChem CID	8956
PubChem SID	92297909
synonym	(20S)-20-hydroxypregn-4-en-3-one
synonym	(S)-20-Hydroxypregn-4-en-3-one
synonym	20alpha-dihydroprogesterone
synonym	20alpha-Hydroxy-4-pregnen-3-one
14 synonym(s)
Page of 2 Results per page:

Derivatives of Pregn-4-ene-20alpha-ol-3-one

analyte	stereoisomer	isotopomer
Pregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) BP		ambient
Pregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) MP		ambient
2 analyte(s)

Reference substances of Pregn-4-ene-20alpha-ol-3-one

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Pregn-4-ene-20alpha-ol-3-one

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Pregn-4-ene-20alpha-ol-3-one 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 Pregn-4-ene-20alpha-ol-3-one Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/17/2009 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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