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Details of Pregnane-3alpha-ol-20-one, 5alpha-

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Role	Metabolite
MPIMP ID	M001105
stereoisomer
isotopomer	ambient
formula	C21H34O2
molecular mass	318.494
monoisotopic mass	318.25588
InChI	InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey	AURFZBICLPNKBZ-SYBPFIFISA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%278e5d696a-eebc-495d-a8c9-98fc9a593150%27)

Synonyms of Pregnane-3alpha-ol-20-one, 5alpha-

property	value
BRENDA	11657
ChEBI ID	ChEBI:50169
ChEBI ontology	is a 3-hydroxy-5alpha-pregnan-20-one
ChemSpider ID	83760
PubChem CID	92786
PubChem SID	92298224
synonym	(3alpha,5alpha)-3-hydroxypregnan-20-one
synonym	3alpha-hydroxy-5alpha-pregnan-20-one
synonym	allopregnan-3alpha-ol-20-one
synonym	Pregnane-3alpha-ol-20-one, 5alpha-
10 synonym(s)

Derivatives of Pregnane-3alpha-ol-20-one, 5alpha-

analyte	stereoisomer	isotopomer
Pregnane-3alpha-ol-20-one, 5alpha- (1MEOX) (1TMS)		ambient
1 analyte(s)

Reference substances of Pregnane-3alpha-ol-20-one, 5alpha-

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Pregnane-3alpha-ol-20-one, 5alpha-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Pregnane-3alpha-ol-20-one, 5alpha- 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-3alpha-ol-20-one, 5alpha- 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 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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