Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1681
Common Name:	2-methoxy-5Z-hexadecenoic acid
Systematic Name:	2-methoxy-5Z-hexadecenoic acid
RefMet Name:	2-Methoxy-5Z-hexadecenoic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	284.2351 (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:	C17H32O3
InChIKey:	IZQFBIOUXQEERU-SEYXRHQNSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Methoxy fatty acids [FA0108]
SMILES:	CCCCCCCCCC/C=CCCC(C(=O)O)OC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5282257
LIPID MAPS ID:	LMFA01080001
CHEBI ID:	34293
KEGG ID:	C13792
Marine Natural Products DB:	CMNPD9542
Plant Metabolite Hub(Pmhub):	MS000023376

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