Metabolomics Structure Database

 
MW REGNO: 49
Common Name:Montanic acid
Systematic Name:octacosanoic acid
RefMet Name:Montanic acid
Synonyms:C28:0 [PubChem Synonyms]
Exact Mass:
424.4280 (neutral)    Calculate m/z:
Formula:C28H56O2
InChIKey:UTOPWMOLSKOLTQ-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Straight chain fatty acids [FA0101]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:10470
LIPID MAPS ID:LMFA01010028
CHEBI ID:31001
HMDB ID:HMDB0002348
Chemspider ID:10038
METLIN ID:6638
NP-MRD ID(NMR):NP0001459
Plant Metabolite Hub(Pmhub):MS000028925

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

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