GOLM METABOLOME DATABASE

Details of Octanoic acid

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Role Metabolite
MPIMP IDM000458
stereoisomern-
isotopomerambient
formulaC8H16O2
molecular mass144.212
monoisotopic mass144.11503
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyWWZKQHOCKIZLMA-UHFFFAOYSA-N
classAcid (Fatty acid)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2743fda9d7-2300-41e7-a373-a34f25b81553%27)

Synonyms of Octanoic acid

propertyvalue
BRENDA26171
CAS124-07-2
ChEBI IDChEBI:28837
ChEBI ontologyis a medium-chain fatty acid
ChEBI ontologyis a straight-chain saturated fatty acid
ChEBI ontologyis conjugate acid of caprylate
ChEBI ontologyis conjugate acid of octanoate
ChemSpider ID370
PubChem CID379
PubChem SID24892539
30 synonym(s)

Derivatives of Octanoic acid

Reference substances of Octanoic acid

reference substancesuppliersupplier codelot
Octanoic acidSigmaC2875103H0422
Octanoic acidSigmaC2875103H0422
Octanoic acidAldrich15,375-318676-048
Octanoic acidSigmaC2875 
4 reference substance(s)

Isotopomers and stereoisomers of Octanoic acid

Quantitative Octanoic acid 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 Octanoic acid 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 10/1/2012 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
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