Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	3059
Common Name:	DPA
Systematic Name:	7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid
RefMet Name:	DPA
Synonyms:	Clupanodonic acid; C22:5n-3,6,9,12,15 [PubChem Synonyms]
Exact Mass:	330.2559 (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:	C22H34O2
InChIKey:	YUFFSWGQGVEMMI-JLNKQSITSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Docosanoids [FA04]
Massbank MS spectra:	View MS spectra
SMILES:	CC/C=CC/C=CC/C=CC/C=CC/C=CCCCCCC(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5497182
LIPID MAPS ID:	LMFA04000044
CHEBI ID:	53488
HMDB ID:	HMDB0006528
KEGG ID:	C16513
Chemspider ID:	4593750
METLIN ID:	194
Plant Metabolite Hub(Pmhub):	MS000009769

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