GOLM METABOLOME DATABASE

Details of Hexanoic acid

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Role Metabolite
MPIMP IDM000460
stereoisomern-
isotopomerambient
formulaC6H12O2
molecular mass116.159
monoisotopic mass116.08373
InChIInChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKeyFUZZWVXGSFPDMH-UHFFFAOYSA-N
classAcid (Fatty acid)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2725401ab4-1ecb-481f-ac91-eaafc9329bdd%27)

Synonyms of Hexanoic acid

propertyvalue
BRENDA22202
CAS142-62-1
ChEBI IDChEBI:30776
ChEBI ontologyis a medium-chain fatty acid
ChEBI ontologyis a straight-chain saturated fatty acid
ChEBI ontologyis conjugate acid of caproate
ChemSpider ID8552
CHLAMYCYC-IDHEXANOATE
PubChem CID8892
PubChem SID92298627
29 synonym(s)

Derivatives of Hexanoic acid

Reference substances of Hexanoic acid

reference substancesuppliersupplier codelot
Hexanoic acidSigma2152912404045
Hexanoic acidSigmaC2250 
Hexanoic acidSigmaC225045H3736
Hexanoic acidSigmaC225045H3736
4 reference substance(s)

Isotopomers and stereoisomers of Hexanoic acid

Quantitative Hexanoic 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 Hexanoic 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 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Kopka J., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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