Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	4939
Common Name:	13,17-Dimethyl-1-pentatriacontene
Systematic Name:	13,17-Dimethyl-1-pentatriacontene
RefMet Name:	13,17-Dimethyl-1-pentatriacontene
Synonyms:	[PubChem Synonyms]
Exact Mass:	518.5791 (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:	C37H74
InChIKey:	XOTSPJNHXSERLP-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Hydrocarbons [FA11]
SMILES:	CCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCC=C
Studies:	Available studies (via RefMet name)

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PubChem CID:	56936148
LIPID MAPS ID:	LMFA11000238

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