Metabolomics Structure Database

 
MW REGNO: 610
Common Name:DHA
Systematic Name:4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
RefMet Name:DHA
Synonyms:Cervonic acid; Docosahexaenoic acid; C22:6n-3,6,9,12,15,18 [PubChem Synonyms]
Exact Mass:
328.2402 (neutral)    Calculate m/z:
Formula:C22H32O2
InChIKey:MBMBGCFOFBJSGT-KUBAVDMBSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Unsaturated fatty acids [FA0103]
MoNA MS spectra:View MS spectra
SMILES:CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
Studies:Available studies (via RefMet name)

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Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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