Metabolomics Structure Database

 
MW REGNO: 488
Common Name:Gaidic acid
Systematic Name:2-hexadecenoic acid
RefMet Name:Gaidic acid
Synonyms:2-palmitoleic acid; C16:1n-14 [PubChem Synonyms]
Exact Mass:
254.2246 (neutral)    Calculate m/z:
Formula:C16H30O2
InChIKey:ZVRMGCSSSYZGSM-CCEZHUSRSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Unsaturated fatty acids [FA0103]
MoNA MS spectra:View MS spectra
SMILES:CCCCCCCCCCCCC/C=C/C(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5282743
LIPID MAPS ID:LMFA01030054
CHEBI ID:37252
HMDB ID:HMDB0010735
Chemspider ID:4445870
Plant Metabolite Hub(Pmhub):MS000004379

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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