Metabolomics Structure Database

 
MW REGNO: 1904
Common Name:12-[3]-ladderane-dodecanoic acid
Systematic Name:12-[3]-ladderane-dodecanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
360.3028 (neutral)    Calculate m/z:
Formula:C24H40O2
InChIKey:CKZGRGZXFFNECL-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Carbocyclic fatty acids [FA0114]
SMILES:C(CCCCCC1CCC2C(C1)C1C3CCC3C21)CCCCCC(=O)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:42607295
LIPID MAPS ID:LMFA01140014

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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