Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	66157
Common Name:	5,15-DiHETE
Systematic Name:	(6E,8Z,11Z,13E)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid
RefMet Name:	5,15-DiHETE
Synonyms:	(6E,8Z,11Z,13E)-5,15-dihydroxyeicosa-6,8,11,13-tetraenoic acid; 5,15-dihydroxy-6E,8Z,11Z,13E-eicosatetraenoic acid; 5,15-dihydroxy-6E,8Z,11Z,13E-icosatetraenoic acid [PubChem Synonyms]
Exact Mass:	336.2301 (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:	C20H32O4
InChIKey:	UXGXCGPWGSUMNI-PCTZFDORSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Eicosanoids [FA03]
LIPID MAPS subclass:	Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
SMILES:	CCCCCC(/C=C/C=CC/C=CC=CC(CCCC(=O)O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	59878863
LIPID MAPS ID:	LMFA03060107
CHEBI ID:	72867
HMDB ID:	HMDB0010216
Plant Metabolite Hub(Pmhub):	MS000240136

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