GOLM METABOLOME DATABASE

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Details of Octanoic acid

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Role	Metabolite
MPIMP ID	M000458
stereoisomer	n-
isotopomer	ambient
formula	C8H16O2
molecular mass	144.212
monoisotopic mass	144.11503
InChI	InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKey	WWZKQHOCKIZLMA-UHFFFAOYSA-N
class	Acid (Fatty acid)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2743fda9d7-2300-41e7-a373-a34f25b81553%27)

Synonyms of Octanoic acid

property	value
BRENDA	26171
CAS	124-07-2
ChEBI ID	ChEBI:28837
ChEBI ontology	is a medium-chain fatty acid
ChEBI ontology	is a straight-chain saturated fatty acid
ChEBI ontology	is conjugate acid of caprylate
ChEBI ontology	is conjugate acid of octanoate
ChemSpider ID	370
PubChem CID	379
PubChem SID	24892539
30 synonym(s)
Page of 3 Results per page:

Derivatives of Octanoic acid

analyte	stereoisomer	isotopomer
Octanoic acid, n- (1TMS)		ambient
CAPRYLIC ACID, TBS 1X		ambient
2 analyte(s)

Reference substances of Octanoic acid

reference substance	supplier	supplier code	lot
Octanoic acid	Sigma	C2875	103H0422
Octanoic acid	Sigma	C2875	103H0422
Octanoic acid	Aldrich	15,375-3	18676-048
Octanoic acid	Sigma	C2875
4 reference substance(s)

Isotopomers and stereoisomers of Octanoic acid

metabolite	stereoisomer	isotopomer
no hits!

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.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova 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 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	Hummel J., Fehrle I.

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