Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	4521
Common Name:	N'-5Z,8Z,11Z,14Z-eicosatetraenoyl-N''-diethyl-ethylenediamine
Systematic Name:	N'-5Z,8Z,11Z,14Z-eicosatetraenoyl-N''-diethyl-ethylenediamine
Synonyms:	N'-arachidonoyl-N''-diethyl ethylene diamine; N'-arachidonoyl-N''-diethylethylenediamine [PubChem Synonyms]
Exact Mass:	402.3610 (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:	C26H46N2O
InChIKey:	LOZCJJDEBAPQGP-AILJCPQKSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	N-acyl amines [FA0802]
SMILES:	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCN(CC)CC
Studies:	Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5283407
LIPID MAPS ID:	LMFA08020022

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