Metabolomics Structure Database

 
MW REGNO: 30542
Common Name:Penazetidine A
Systematic Name:2S-(hydroxymethyl)-4S-(12-methyloctadecyl)azetidin-3R-ol
RefMet Name:Penazetidine A
Synonyms: [PubChem Synonyms]
Exact Mass:
369.3607 (neutral)    Calculate m/z:
Formula:C23H47NO2
InChIKey:MXSVVKSZJQKNBC-AVAPBHFXSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Sphingoid bases [SP01]
LIPID MAPS subclass:Sphingoid base analogs [SP0108]
SMILES:CCCCCCC(C)CCCCCCCCCCC[C@H]1[C@H]([C@H](CO)N1)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:9999186
LIPID MAPS ID:LMSP01080047
Marine Natural Products DB:CMNPD8130

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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