Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	3515
Common Name:	(2E,6Z)-nona-2,6-dienal
Systematic Name:	2E,6Z-nonadienal
Synonyms:	(2E,6Z)-2,6-nonadienal; (E,Z)-2,6-nonadienal; 2,6-Nonadienal, (2E,6Z)-; Nona-2,6-dienal; cucumber aldehyde; trans-2,cis-6-nonadienal; violet leaf aldehyde [PubChem Synonyms]
Exact Mass:	138.1045 (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:	C9H14O
InChIKey:	HZYHMHHBBBSGHB-ODYTWBPASA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty aldehydes [FA06]
SMILES:	CC/C=CCC/C=C/C=O
Studies:	Available studies(via PubChem CID)

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External database links:

PubChem CID:	643731
LIPID MAPS ID:	LMFA06000117
CHEBI ID:	7610
HMDB ID:	HMDB0033857
KEGG ID:	C08499
Chemspider ID:	558840
Plant Metabolite Hub(Pmhub):	MS000019964

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