Metabolomics Structure Database

 
MW REGNO: 1730
Common Name:9-chloro-10-hydroxy-hexadecanoic acid
Systematic Name:9-chloro-10-hydroxy-hexadecanoic acid
RefMet Name:9-Chloro-10-hydroxyhexadecanoic acid
Synonyms:9-Chloro-10-hydroxyhexadecanoic acid [PubChem Synonyms]
Exact Mass:
306.1962 (neutral)    Calculate m/z:
Formula:C16H31ClO3
InChIKey:YTOQELMVXKVDDX-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Halogenated fatty acids [FA0109]
SMILES:CCCCCCC(C(CCCCCCCC(=O)O)Cl)O
Studies:Available studies (via RefMet name)

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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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