Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1191
Common Name:	Delta2-THA
Systematic Name:	2E,6Z,9Z,12Z,15Z,18Z,21Z-tetracosaheptaenoic acid
Synonyms:	delta2-tetracosahexaenoic acid [PubChem Synonyms]
Exact Mass:	354.2559 (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:	C24H34O2
InChIKey:	CAOQRBMKUULMGN-AWZVLNPTSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Unsaturated fatty acids [FA0103]
SMILES:	CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC/C=C/C(=O)O
Studies:	Available studies(via PubChem CID)

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External database links:

PubChem CID:	52921827
LIPID MAPS ID:	LMFA01030852
CHEBI ID:	65210

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