Metabolomics Structure Database

 
MW REGNO: 30477
Common Name:3-ketosphinganine
Systematic Name:3-dehydrosphinganine
RefMet Name:3-Ketosphinganine
Synonyms: [PubChem Synonyms]
Exact Mass:
299.2824 (neutral)    Calculate m/z:
Formula:C18H37NO2
InChIKey:KBUNOSOGGAARKZ-KRWDZBQOSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Sphingoid bases [SP01]
LIPID MAPS subclass:Sphinganines [SP0102]
SMILES:CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:439853
LIPID MAPS ID:LMSP01020002
CHEBI ID:17862
HMDB ID:HMDB0001480
KEGG ID:C02934
Chemspider ID:388895
METLIN ID:3428
MetaCyc ID:DEHYDROSPHINGANINE

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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