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Details of Squalene, all-trans-

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Role Analyte
nameSqualene, all-trans-
MPIMP IDA283001
isotopomerambient
formulaC30H50
molecular mass410.719
monoisotopic mass410.39125
InChIInChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKeyYYGNTYWPHWGJRM-AAJYLUCBSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,824.66
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%273704365a-1dab-4aaa-a0d0-cae7a96723ac%27)

Synonyms of Squalene, all-trans-

propertyvalue
Beilstein6509976
BRENDA15843
CAS111-02-4
ChEBI IDChEBI:15440
ChEBI ontologyis a triterpene
ChemSpider ID553635
MAPMANSqualen
PubChem CID5280370
PubChem SID24899564
PubChem SID92298462
22 synonym(s)

Metabolite mapped to Squalene, all-trans-

Reference spectra of Squalene, all-trans-

replicaentry datedetectionmethodspecies
12/1/2005 12:00:00 AM M[6]Reference Substance
26/1/2003 12:00:00 AM M[2]Markhamia acuminata
37/19/2007 11:16:30 AM MDN35Reference Substance
41/25/2005 12:00:00 AM M[MOR] 
93/30/2011 4:52:37 PM Fiehn_GC_2010 
511/26/2004 12:00:00 AM M[FAME4090]Standard
610/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
75/1/2001 12:00:00 AM M[EIGTMS]Standard
87/19/2007 11:16:30 AM VAR5Reference Substance
9 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 11/26/2013 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.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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