Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	74869
Common Name:	17Z-Docosenoic acid
Systematic Name:	17Z-Docosenoic acid
Synonyms:	22:1-delta-17c; (Z)-docos-17-enoic acid; Z-17-Docosenoic acid; 17c-Docosenoic acid; 17c-Docosensaeure [PubChem Synonyms]
Exact Mass:	338.3185 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C22H42O2
InChIKey:	UBKDYQFHAWUXEQ-WAYWQWQTSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Docosanoids [FA04]
LIPID MAPS subclass:	Other Docosanoids [FA0400]
SMILES:	CCCC/C=CCCCCCCCCCCCCCCCC(=O)O
Studies:	-

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PubChem CID:	101109963
LIPID MAPS ID:	LMFA04000085

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