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Details of Octane

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Role Metabolite
MPIMP IDM000695
stereoisomern-
isotopomerambient
formulaC8H18
molecular mass114.229
monoisotopic mass114.14085
InChIInChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKeyTVMXDCGIABBOFY-UHFFFAOYSA-N
classAlkane
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27eee64b73-0375-4303-afd5-0795361807ff%27)

Synonyms of Octane

propertyvalue
BRENDA26254
CAS111-65-9
ChEBI IDChEBI:17590
ChEBI ontologyhas role xenobiotic
ChEBI ontologyis a alkane
ChemSpider ID349
MetaCycCPD-148
PubChem CID356
PubChem SID92297457
synonymCH3-[CH2]6-CH3
15 synonym(s)
    of 2    

Derivatives of Octane

analytestereoisomerisotopomer
Octane, n-  ambient
1 analyte(s)

Reference substances of Octane

reference substancesuppliersupplier codelot
OctaneSigmaO200138H3654
1 reference substance(s)

Isotopomers and stereoisomers of Octane

Quantitative Octane 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.
NameOrganismFactorHeatmapBox plotVarianceAnova F score
no metabolite profile(s) found.

Qualitative Octane Profile Data

species
no qualitative metabolite profile data available!
compound timestamp information
deposited at 8/29/2006 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 Hummel J.
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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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