Metabolomics Structure Database

 
MW REGNO: 877
Common Name:4-dodecynoic acid
Systematic Name:4-dodecynoic acid
RefMet Name:4-Dodecynoic acid
Synonyms:4-Dodecynoic acid [PubChem Synonyms]
Exact Mass:
196.1463 (neutral)    Calculate m/z:
Formula:C12H20O2
InChIKey:BVRNSWNGCXNAJN-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Unsaturated fatty acids [FA0103]
SMILES:CCCCCCCC#CCCC(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5312607
LIPID MAPS ID:LMFA01030467

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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