Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	525
Common Name:	Nervonic acid
Systematic Name:	15Z-tetracosenoic acid
RefMet Name:	Nervonic acid
Synonyms:	cis-15-tetracosenoic acid; cis-selacholeic acid; C24:1n-9 [PubChem Synonyms]
Exact Mass:	366.3498 (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:	C24H46O2
InChIKey:	GWHCXVQVJPWHRF-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
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5281120
LIPID MAPS ID:	LMFA01030092
CHEBI ID:	44247
HMDB ID:	HMDB0002368
KEGG ID:	C08323
Chemspider ID:	4444565
METLIN ID:	262
NP-MRD ID(NMR):	NP0000682
EPA CompTox DB:	DTXCID60810889
Plant Metabolite Hub(Pmhub):	MS000000986

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