Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	5
Common Name:	N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine
Systematic Name:	N-(3-(15-methyl-hexadecanoyloxy)-13-methyl-tetradecanoyl)-L-serine
Synonyms:	[PubChem Synonyms]
Exact Mass:	625.5281 (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:	C37H71NO6
InChIKey:	WTGXHHUORCSXNB-DNKZHYAASA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Other Fatty Acyls [FA00]
SMILES:	CC(C)CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=O)N[C@@H](CO)C(=O)O
Studies:	Available studies(via PubChem CID)

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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