Metabolomics Structure Database

 
MW REGNO: 2605
Common Name:Lipoxin C4
Systematic Name:5S,15S-dihydroxy-6R-(S-glutathionyl)-7E,9E,11Z,13E-eicosatetraenoic acid
RefMet Name:Lipoxin C4
Synonyms:LXC4; 15(S)-hydroxy-Delta(13)-trans-leukotriene C3; 15-OH-LTC3 [PubChem Synonyms]
Exact Mass:
641.2982 (neutral)    Calculate m/z:
Formula:C30H47N3O10S
InChIKey:CYCIJLWHNZKKBC-MTFYIJSJSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Lipoxins [FA0304]
SMILES:CCCCC[C@@H](/C=C/C=CC=CC=C[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
Studies:Available studies (via RefMet name)

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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

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