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Details of Octadecatrienoic acid, 6,9,12-(Z,Z,Z)-

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Role	Metabolite
MPIMP ID	M000490
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/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
InChIKey	VZCCETWTMQHEPK-QNEBEIHSSA-N
class	Acid (Fatty acid trimethylsilyl ester)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27d58cca4a-7ffa-4e8b-a758-eaa7d073b343%27)

Synonyms of Octadecatrienoic acid, 6,9,12-(Z,Z,Z)-

property	value
BRENDA	8767
CAS	506-26-3
ChEBI ID	ChEBI:28661
ChEBI ontology	is a linolenic acid
ChEBI ontology	is a omega-6 fatty acid
ChEBI ontology	is conjugate acid of gamma-linolenate
ChemSpider ID	4444436
PubChem CID	5280933
PubChem SID	24896312
PubChem SID	92298626
30 synonym(s)
Page of 3 Results per page:

Derivatives of Octadecatrienoic acid, 6,9,12-(Z,Z,Z)-

analyte	stereoisomer	isotopomer
Octadecatrienoic acid, 6,9,12-(Z,Z,Z)-, n- (1TMS)		ambient
1 analyte(s)

Reference substances of Octadecatrienoic acid, 6,9,12-(Z,Z,Z)-

reference substance	supplier	supplier code	lot
Octadecatrienoic acid, 6,9,12-(Z,Z,Z)-	Sigma	L2378
1 reference substance(s)

Isotopomers and stereoisomers of Octadecatrienoic acid, 6,9,12-(Z,Z,Z)-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Octadecatrienoic acid, 6,9,12-(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, 6,9,12-(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 5/21/2012 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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