RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0150237
RefMet name	20-Hydroxy LTB4
Systematic name	5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:4;O3	View other entries in RefMet with this sum composition
Exact mass	352.224975 (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	C20H32O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2576 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17 H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
InChIKey	PTJFJXLGRSTECQ-PSPARDEHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCCCO)/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Eicosanoids
Sub Class	Leukotrienes
Distribution of 20-Hydroxy LTB4 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 20-Hydroxy LTB4
External Links
Pubchem CID	5280745
LIPID MAPS	LMFA03020018
ChEBI ID	15646
KEGG ID	C04853
HMDB ID	HMDB0001509
Chemspider ID	4444320
MetaCyc ID	20-OH-LTB4
Spectral data for 20-Hydroxy LTB4 standards
MassBank(EU)	View MS spectra
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 20-Hydroxy LTB4

Rxn ID	KEGG Reaction	Enzyme
R03866	Leukotriene B4 + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 20-OH-Leukotriene B4 + [Oxidized NADPH---hemoprotein reductase] + H2O	(6Z,8E,10E,14Z)-(5S,12R)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate,[reduced NADPH---hemoprotein reductase]:oxygen oxidoreductase (20-hydroxylating)

Table of KEGG human pathways containing 20-Hydroxy LTB4

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