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Details of cis-4,7,10,13,16,19-docosahexaenoic acid

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Role	Metabolite
MPIMP ID	M000495
stereoisomer	n-
isotopomer	ambient
formula	C22H32O2
molecular mass	328.489
monoisotopic mass	328.24023
InChI	InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey	MBMBGCFOFBJSGT-KUBAVDMBSA-N
class	Acid (Fatty acid trimethylsilyl ester)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27800e8e72-bbf4-46f7-a60b-b8f2b54669c7%27)

Synonyms of cis-4,7,10,13,16,19-docosahexaenoic acid

property	value
BRENDA	12185
CAS	6217-54-5
ChEBI ID	ChEBI:28125
ChEBI ontology	has role nutraceutical
ChEBI ontology	is a docosahexaenoic acid
ChEBI ontology	is a docosahexaenoic acids
ChEBI ontology	is a omega-3 fatty acid
ChemSpider ID	393183
PubChem CID	445580
PubChem SID	24893696
27 synonym(s)
Page of 3 Results per page:

Derivatives of cis-4,7,10,13,16,19-docosahexaenoic acid

analyte	stereoisomer	isotopomer
Docosahexaenoic acid, 4,7,10,13,16,19-(Z,Z,Z,Z,Z,Z)- (1TMS)		ambient
1 analyte(s)

Reference substances of cis-4,7,10,13,16,19-docosahexaenoic acid

reference substance	supplier	supplier code	lot
cis-4,7,10,13,16,19-docosahexaenoic acid	Sigma	D2534	72H78441
1 reference substance(s)

Isotopomers and stereoisomers of cis-4,7,10,13,16,19-docosahexaenoic acid

metabolite	stereoisomer	isotopomer
no hits!

Quantitative cis-4,7,10,13,16,19-docosahexaenoic 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 cis-4,7,10,13,16,19-docosahexaenoic 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 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Eckardt A., Hummel J.

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