Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	3485
Common Name:	6,8,10,12-pentadecatetraenal
Systematic Name:	6,8,10,12-pentadecatetraenal
RefMet Name:	6,8,10,12-Pentadecatetraenal
Synonyms:	[PubChem Synonyms]
Exact Mass:	218.1671 (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:	C15H22O
InChIKey:	ZSDGTOPNWLXOHV-BYFNFPHLSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty aldehydes [FA06]
SMILES:	CC/C=C/C=C/C=C/C=C/CCCCC=O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5283373
LIPID MAPS ID:	LMFA06000087
CHEBI ID:	165521

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