Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1689
Common Name:	2-methoxy-hexadecanoic acid
Systematic Name:	2-methoxy-hexadecanoic acid
RefMet Name:	2-Methoxyhexadecanoic acid
Synonyms:	2-Methoxyhexadecanoic acid [PubChem Synonyms]
Exact Mass:	286.2508 (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:	C17H34O3
InChIKey:	YNBIUHDYZWCBSF-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Methoxy fatty acids [FA0108]
SMILES:	CCCCCCCCCCCCCCC(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:	656825
LIPID MAPS ID:	LMFA01080009
CHEBI ID:	34295
KEGG ID:	C13947
Marine Natural Products DB:	CMNPD9539
Plant Metabolite Hub(Pmhub):	MS000023476

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