GOLM METABOLOME DATABASE

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Details of Hexanoic acid

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Role	Metabolite
MPIMP ID	M000460
stereoisomer	n-
isotopomer	ambient
formula	C6H12O2
molecular mass	116.159
monoisotopic mass	116.08373
InChI	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey	FUZZWVXGSFPDMH-UHFFFAOYSA-N
class	Acid (Fatty acid)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2725401ab4-1ecb-481f-ac91-eaafc9329bdd%27)

Synonyms of Hexanoic acid

property	value
BRENDA	22202
CAS	142-62-1
ChEBI ID	ChEBI:30776
ChEBI ontology	is a medium-chain fatty acid
ChEBI ontology	is a straight-chain saturated fatty acid
ChEBI ontology	is conjugate acid of caproate
ChemSpider ID	8552
CHLAMYCYC-ID	HEXANOATE
PubChem CID	8892
PubChem SID	92298627
29 synonym(s)
Page of 3 Results per page:

Derivatives of Hexanoic acid

analyte	stereoisomer	isotopomer
Hexanoic-acid_1TMS		ambient
CAPRONIC ACID, TBS 1X		ambient
Hexanoic acid (1TMS)		ambient
3 analyte(s)

Reference substances of Hexanoic acid

reference substance	supplier	supplier code	lot
Hexanoic acid	Sigma	21529	12404045
Hexanoic acid	Sigma	C2250
Hexanoic acid	Sigma	C2250	45H3736
Hexanoic acid	Sigma	C2250	45H3736
4 reference substance(s)

Isotopomers and stereoisomers of Hexanoic acid

metabolite	stereoisomer	isotopomer
no hits!

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.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova 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 3/22/2019 by Fehrle I., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Kopka J., Hummel J., Fehrle I.

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