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Details of Ergosterol (1TMS)

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Role Analyte
nameErgosterol (1TMS)
MPIMP IDA327001
isotopomerambient
formulaC31H52OSi
molecular mass468.831
monoisotopic mass468.37874
InChIInChI=1S/C31H52OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h10-13,21-23,25,27-29H,14-20H2,1-9H3/b11-10+/t22-,23+,25-,27+,28-,29-,30-,31+/m0/s1
InChIKeyOPWXUPLJCANTIU-SCFYJWQTSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,276.35
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%272cf8b411-efed-4405-a62f-3ebe37f03278%27)

Synonyms of Ergosterol (1TMS)

propertyvalue
no synonym(s) available!

Metabolite mapped to Ergosterol (1TMS)

metabolitestereoisomerisotopomer
Ergosterol(3.beta.,22E)- ambient
1 metabolite(s)

Reference spectra of Ergosterol (1TMS)

replicaentry datedetectionmethodspecies
111/26/2004 12:00:00 AM M[FAME4090]Standard
25/12/2005 12:00:00 AM M[NIST] 
33/15/2005 12:00:00 AM M[6]Reference Substance
410/1/2001 12:00:00 AM M[EIGTMS]Saccharomyces cerevisiae
53/30/2011 4:52:37 PM Fiehn_GC_2010 
5 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 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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