Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	669
Common Name:	7Z-tetradecenoic acid
Systematic Name:	7Z-tetradecenoic acid
RefMet Name:	7Z-Tetradecenoic acid
Synonyms:	C14:1n-7 [PubChem Synonyms]
Exact Mass:	226.1933 (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:	C14H26O2
InChIKey:	ZVXDGKJSUPWREP-FPLPWBNLSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Unsaturated fatty acids [FA0103]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CCCCCC/C=CCCCCCC(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5312401
LIPID MAPS ID:	LMFA01030249
CHEBI ID:	53206
HMDB ID:	HMDB0062243
Natural Products Atlas ID:	NP010688
NP-MRD ID(NMR):	NP0023409
Plant Metabolite Hub(Pmhub):	MS000094952

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