RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0150781
RefMet name	19S-HETE
Systematic name	19S-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:4;O	View other entries in RefMet with this sum composition
Exact mass	320.235145 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C20H32O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2682 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-, 6-4-,11-9-,12-10-/t19-/m0/s1
InChIKey	XFUXZHQUWPFWPR-DZBJBCEBSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@H](CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Eicosanoids
Sub Class	HETE
Distribution of 19S-HETE in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting 19S-HETE
External Links
Pubchem CID	9548883
LIPID MAPS	LMFA03060074
ChEBI ID	34185
KEGG ID	C14749
HMDB ID	HMDB0011136
Chemspider ID	7827806
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 19S-HETE

Rxn ID	KEGG Reaction	Enzyme
R07046	Arachidonate + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 19(S)-HETE + [Oxidized NADPH---hemoprotein reductase] + H2O	Arachidonate + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 19(S)-HETE + [Oxidized NADPH---hemoprotein reductase] + H2O

Table of KEGG human pathways containing 19S-HETE

Pathway ID	Human Pathway	# of reactions
hsa00590	Arachidonic acid metabolism	1