Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	4548
Common Name:	N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine
Systematic Name:	N-(2'-(4-benzenesulfonamide)-ethyl)-5Z,8Z,11Z,14Z-eicosatetraenoyl amine
Synonyms:	N-(2'-(4-benzenesulfonamide)-ethyl)arachidonoylamide; arachidonoyl-(2'-(4-bezenesulfonamide)ethyl)amide [PubChem Synonyms]
Exact Mass:	486.2916 (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:	C28H42N2O3S
InChIKey:	PCSYNZSWISKYPW-DOFZRALJSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	N-acyl amines [FA0802]
SMILES:	CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)NCCc1ccc(cc1)S(=O)(=O)N
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5283434
LIPID MAPS ID:	LMFA08020053
CHEBI ID:	141500

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