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Details of Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-

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Role	Metabolite
MPIMP ID	M000491
stereoisomer	n-
isotopomer	ambient
formula	C18H30O2
molecular mass	278.430
monoisotopic mass	278.22458
InChI	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
InChIKey	DTOSIQBPPRVQHS-PDBXOOCHSA-N
class	Acid (Fatty acid trimethylsilyl ester)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%272dcd0473-e5cc-47bb-a0a4-95899aff6c4b%27)

Synonyms of Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-

property	value
BRENDA	8772
CAS	463-40-1
ChEBI ID	ChEBI:27432
ChEBI ontology	has role micronutrient
ChEBI ontology	has role nutraceutical
ChEBI ontology	is a linolenic acid
ChEBI ontology	is a omega-3 fatty acid
ChEBI ontology	is conjugate acid of (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
ChEBI ontology	is conjugate acid of alpha-linolenate
ChemSpider ID	4444437
33 synonym(s)
Page of 4 Results per page:

Derivatives of Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-

analyte	stereoisomer	isotopomer
Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-, n- (1TMS)		ambient
1 analyte(s)

Reference substances of Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-

reference substance	supplier	supplier code	lot
Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-	Sigma	L2376
Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-
Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-	Fluka	62160	1276984 23506030
3 reference substance(s)

Isotopomers and stereoisomers of Octadecatrienoic acid, 9,12,15-(Z,Z,Z)-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Octadecatrienoic acid, 9,12,15-(Z,Z,Z)- 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 Octadecatrienoic acid, 9,12,15-(Z,Z,Z)- 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.

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