Metabolomics Structure Database

 
MW REGNO: 4780
Common Name:(21-Methyl-8Z-pentatriacontene
Systematic Name:(21-Methyl-8Z-pentatriacontene
RefMet Name:(21-Methyl-8Z-pentatriacontene
Synonyms: [PubChem Synonyms]
Exact Mass:
504.5634 (neutral)    Calculate m/z:
Formula:C36H72
InChIKey:PXCAACLCRICOBP-VLGSPTGOSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Hydrocarbons [FA11]
SMILES:CCCCCCC/C=C\CCCCCCCCCCCC(C)CCCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:56936079
LIPID MAPS ID:LMFA11000079

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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