Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1099
Common Name:	EPA
Systematic Name:	5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid
RefMet Name:	EPA
Synonyms:	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid; Timnodonic acid; C20:5n-3,6,9,12,15 [PubChem Synonyms]
Exact Mass:	302.2246 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C20H30O2
InChIKey:	JAZBEHYOTPTENJ-JLNKQSITSA-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\CCCC(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	446284
LIPID MAPS ID:	LMFA01030759
CHEBI ID:	28364
HMDB ID:	HMDB0001999
KEGG ID:	C06428
Chemspider ID:	393682
METLIN ID:	6423
MetaCyc ID:	5Z8Z11Z14Z17Z-EICOSAPENTAENOATE
Marine Natural Products DB:	CMNPD8050
Plant Metabolite Hub(Pmhub):	MS000000304

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