Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	611
Common Name:	4,8,12,15,19,21-tetracosahexaenoic acid
Systematic Name:	4,8,12,15,19,21-tetracosahexaenoic acid
RefMet Name:	4,8,12,15,19,21-Tetracosahexaenoic acid
Synonyms:	C24:6n-3,5,9,12,16,20 [PubChem Synonyms]
Exact Mass:	356.2715 (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:	C24H36O2
InChIKey:	VIEVDWQLJOPJTP-FWMXRSOJSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Unsaturated fatty acids [FA0103]
SMILES:	CC/C=C/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5282851
LIPID MAPS ID:	LMFA01030186
CHEBI ID:	165468

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