Metabolomics Structure Database

 
MW REGNO: 518
Common Name:cis-gondoic acid
Systematic Name:11Z-eicosenoic acid
RefMet Name:cis-Gondoic acid
Synonyms:cis-11-eicosenoic acid; cis-11-icosenoic acid; C20:1n-9 [PubChem Synonyms]
Exact Mass:
310.2872 (neutral)    Calculate m/z:
Formula:C20H38O2
InChIKey:BITHHVVYSMSWAG-KTKRTIGZSA-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:CCCCCCCC/C=C\CCCCCCCCCC(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5282768
LIPID MAPS ID:LMFA01030085
CHEBI ID:32425
HMDB ID:HMDB0002231
KEGG ID:C16526
Chemspider ID:4445895
METLIN ID:6563
Plant Metabolite Hub(Pmhub):MS000008527

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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