Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1159
Common Name:	Tetracosapentaenoic acid (24:5n-6)
Systematic Name:	6Z,9Z,12Z,15Z,18Z-tetracosapentaenoic acid
Synonyms:	C24:5n-6,9,12,15,18 [PubChem Synonyms]
Exact Mass:	358.2872 (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:	C24H38O2
InChIKey:	VENRYLMOFDSSDJ-WMPRHZDHSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Unsaturated fatty acids [FA0103]
SMILES:	CCCCC/C=CC/C=CC/C=CC/C=CC/C=CCCCCC(=O)O
Studies:	Available studies(via PubChem CID)

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External database links:

PubChem CID:	14505435
LIPID MAPS ID:	LMFA01030820
CHEBI ID:	77527
HMDB ID:	HMDB0006322

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