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Details of Pregn-5-ene-3beta-ol-20-one

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Role	Metabolite
MPIMP ID	M001113
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/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey	ORNBQBCIOKFOEO-QGVNFLHTSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%270f6367c4-e1fa-4aec-9846-7bcc5ada3417%27)

Synonyms of Pregn-5-ene-3beta-ol-20-one

property	value
BRENDA	11559
CAS	145-13-1
ChEBI ID	ChEBI:16581
ChEBI ontology	has parent hydride pregnane
ChEBI ontology	is a 20-oxo steroid
ChEBI ontology	is a 3beta-hydroxy steroid
ChEBI ontology	is a C21-steroid
ChemSpider ID	8611
MetaCyc	PREGNENOLONE
PubChem CID	8955
18 synonym(s)
Page of 2 Results per page:

Derivatives of Pregn-5-ene-3beta-ol-20-one

analyte	stereoisomer	isotopomer
Pregn-5-ene-3beta-ol-20-one (1MEOX) (1TMS) MP		ambient
1 analyte(s)

Reference substances of Pregn-5-ene-3beta-ol-20-one

reference substance	supplier	supplier code	lot
Pregn-5-ene-3beta-ol-20-one	Sigma	P9129	033K1107
1 reference substance(s)

Isotopomers and stereoisomers of Pregn-5-ene-3beta-ol-20-one

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Pregn-5-ene-3beta-ol-20-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-5-ene-3beta-ol-20-one 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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