Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	3460
Common Name:	2,8-decadiene-4,6-diyn-1-al
Systematic Name:	2,8-decadiene-4,6-diyn-1-al
RefMet Name:	2,8-Decadiene-4,6-diyn-1-al
Synonyms:	[PubChem Synonyms]
Exact Mass:	144.0575 (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:	C10H8O
InChIKey:	CPEFMWOEEFVIBR-VHYPUYLQSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty aldehydes [FA06]
SMILES:	C/C=C/C#CC#C/C=C/C=O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5283354
LIPID MAPS ID:	LMFA06000062
CHEBI ID:	137804

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