Metabolomics Structure Database

 
MW REGNO: 610
Common Name:DHA
Systematic Name:4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid
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 [LMFA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [LMFA01]
LIPID MAPS subclass:Unsaturated fatty acids [LMFA0103]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:445580
LIPID MAPS ID:LMFA01030185
CHEBI ID:28125
HMDB ID:HMDB0002183
KEGG ID:C06429
Chemspider ID:393183
METLIN ID:3457
MetaCyc ID:CPD-10244

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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