GOLM METABOLOME DATABASE

Details of Pregn-5-ene-3,17,21-triol-20-one (1MEOX) (3TMS)

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol
Role Analyte
namePregn-5-ene-3,17,21-triol-20-one (1MEOX) (3TMS)
MPIMP IDA297004
isotopomerambient
formulaC31H59NO4Si3
molecular mass594.062
monoisotopic mass593.37519
InChIInChI=1S/C31H59NO4Si3/c1-29-18-15-24(35-38(7,8)9)21-23(29)13-14-25-26(29)16-19-30(2)27(25)17-20-31(30,36-39(10,11)12)28(32-33-3)22-34-37(4,5)6/h13,24-27H,14-22H2,1-12H3/b32-28+/t24?,25-,26+,27+,29+,30+,31+/m1/s1
InChIKeySJBAGGRNOKPPTQ-HAGIBZCUSA-N
substructure TMS3
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,052.02
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27546b6d1e-8ca3-4344-ab82-9520951384cb%27)

Synonyms of Pregn-5-ene-3,17,21-triol-20-one (1MEOX) (3TMS)

Metabolite mapped to Pregn-5-ene-3,17,21-triol-20-one (1MEOX) (3TMS)

Reference spectra of Pregn-5-ene-3,17,21-triol-20-one (1MEOX) (3TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
26/10/2009 1:14:53 PM VAR5Reference Substance
2 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
Top