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Details of Pregn-5-ene-3,21-diol-20-one

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Role	Metabolite
MPIMP ID	M001141
stereoisomer
isotopomer	ambient
formula	C21H32O3
molecular mass	332.478
monoisotopic mass	332.23515
InChI	InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1
InChIKey	MOIQRAOBRXUWGN-WPWXJNKXSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27ea039d84-79f8-4e8b-9c7f-a8b8117ee51f%27)

Synonyms of Pregn-5-ene-3,21-diol-20-one

property	value
BRENDA	11586
ChEBI ID	ChEBI:28043
ChEBI ontology	has functional parent pregnenolone
ChEBI ontology	is a 21-hydroxy steroid
ChEBI ontology	is a 3beta-hydroxy steroid
ChEBI ontology	is a hydroxypregnenolone
ChemSpider ID	216208
PubChem CID	247020
PubChem SID	92298289
synonym	(3beta)-3,21-dihydroxypregn-5-en-20-one
13 synonym(s)
Page of 2 Results per page:

Derivatives of Pregn-5-ene-3,21-diol-20-one

analyte	stereoisomer	isotopomer
Pregn-5-ene-3,21-diol-20-one (1MEOX) (2TMS)		ambient
1 analyte(s)

Reference substances of Pregn-5-ene-3,21-diol-20-one

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Pregn-5-ene-3,21-diol-20-one

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Pregn-5-ene-3,21-diol-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-3,21-diol-20-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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