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Details of Decane, n-

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Role Analyte
nameDecane, n-
MPIMP IDA100003
isotopomerambient
formulaC10H22
molecular mass142.282
monoisotopic mass142.17215
InChIInChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
InChIKeyDIOQZVSQGTUSAI-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,000
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27dbf497d1-4529-4457-841e-9d33cdf22b1c%27)

Synonyms of Decane, n-

propertyvalue
BRENDA1843
CAS124-18-5
ChEBI IDChEBI:41808
ChEBI ontologyis a alkane
ChemSpider ID14840
MetaCycCPD-9287
Method [J Kopka]non-derivatized
PubChem CID15600
PubChem SID92298236
synonymCH3-[CH2]8-CH3
16 synonym(s)

Metabolite mapped to Decane, n-

metabolitestereoisomerisotopomer
Decane, n-n- ambient
1 metabolite(s)

Reference spectra of Decane, n-

replicaentry datedetectionmethodspecies
911/3/2010 4:21:14 PM Schomburg_GC_2010 
66/27/2008 2:24:36 PM VAR5na
82/3/2011 5:30:11 PM VAR5 
22/22/2005 12:00:00 AM M[STR] 
4 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 8/7/2013 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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