GOLM METABOLOME DATABASE

- home
- search
- ms analysis
  - library search
  - prediction
- GoBioSpace
- blog
- thanks to
- publications
- imprint
- privacy policy
- contact
- help

The GMD web site use latest HTML5 features! This message indicates backward compatibility problems in GMD's mass spectra, chemical compound structure and metabolite profile visualizations. As your browser does not support the HTML5 <canvas> element, please consider to upgrade to a HTML5 ready web browser, including Microsoft Internet Explorer, Mozilla Firefox, Apple Safari, Google Chrome and Opera, to fully enjoy GMD's functionalities!

Details of Pregn-5-ene-3,17,21-triol-20-one

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Role	Metabolite
MPIMP ID	M001128
stereoisomer
isotopomer	ambient
formula	C21H32O4
molecular mass	348.477
monoisotopic mass	348.23006
InChI	InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14?,15-,16+,17+,19+,20+,21+/m1/s1
InChIKey	JNHJGXQUDOYJAK-WRHLTIRBSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27e631af4b-1968-4cce-a21c-0a05b67310d1%27)

Synonyms of Pregn-5-ene-3,17,21-triol-20-one

property	value
ChemSpider ID	18511745
PubChem CID	13988106
PubChem SID	92297471
synonym	Pregn-5-ene-3,17,21-triol-20-one
4 synonym(s)

Derivatives of Pregn-5-ene-3,17,21-triol-20-one

analyte	stereoisomer	isotopomer
Pregn-5-ene-3,17,21-triol-20-one (1MEOX) (3TMS)		ambient
1 analyte(s)

Reference substances of Pregn-5-ene-3,17,21-triol-20-one

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Pregn-5-ene-3,17,21-triol-20-one

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Pregn-5-ene-3,17,21-triol-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-3,17,21-triol-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 8/11/2011 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.

Show all metabolites

Top