Metabolomics Structure Database

 
MW REGNO: 604
Common Name:Adrenic Acid
Systematic Name:7Z,10Z,13Z,16Z-docosatetraenoic acid
RefMet Name:Adrenic acid
Synonyms:C22:4n-6,9,12,15 [PubChem Synonyms]
Exact Mass:
332.2715 (neutral)    Calculate m/z:
Formula:C22H36O2
InChIKey:TWSWSIQAPQLDBP-DOFZRALJSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Unsaturated fatty acids [FA0103]
SMILES:CCCCC/C=CC/C=CC/C=CC/C=CCCCCCC(=O)O
Studies:Available studies (via RefMet name)

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Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite

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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