Metabolomics Structure Database

 
MW REGNO: 4963
Common Name:13-Methylheptatriacontane
Systematic Name:13-Methylheptatriacontane
RefMet Name:13-Methylheptatriacontane
Synonyms: [PubChem Synonyms]
Exact Mass:
534.6104 (neutral)    Calculate m/z:
Formula:C38H78
InChIKey:XBGZSXCXMVDZHG-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Hydrocarbons [FA11]
SMILES:CC(CCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:521782
LIPID MAPS ID:LMFA11000262
CHEBI ID:165731

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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