Metabolomics Structure Database

 
MW REGNO: 90603
Common Name:LacCer(d22:1(4E)/27:0)
Systematic Name:N-(heptacosanoyl)-1-beta-lactosyl-4E-docosasphingenine
RefMet Name:LacCer 22:1;O2/27:0
Synonyms: [PubChem Synonyms]
Exact Mass:
1071.8525 (neutral)    Calculate m/z:
Formula:C61H117NO13
InChIKey:AIHBGDCOVUUZOL-KDZJQMAMSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Neutral glycosphingolipids [SP05]
LIPID MAPS subclass:Simple Glc series [SP0501]
SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@@H]([C@@H](CO)O1)O[C@H]1C(C([C@H]([C@@H](CO)O1)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145717547
LIPID MAPS ID:LMSP05019IZH

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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