Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	4881
Common Name:	3Z,6Z,9Z,12Z,15Z-Tricosapentaene
Systematic Name:	3Z,6Z,9Z,12Z,15Z-Tricosapentaene
Synonyms:	[PubChem Synonyms]
Exact Mass:	314.2974 (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:	C23H38
InChIKey:	WZOLXZVFYDHGLR-CUUFJFTBSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Hydrocarbons [FA11]
SMILES:	CC/C=CC/C=CC/C=CC/C=CC/C=CCCCCCCC
Studies:	Available studies(via PubChem CID)

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External database links:

PubChem CID:	11427023
LIPID MAPS ID:	LMFA11000180

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