RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0140120
RefMet name	LTB4
Systematic name	5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:4;O2	View other entries in RefMet with this sum composition
Exact mass	336.230060 (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	C20H32O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2561 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,( H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
InChIKey	VNYSSYRCGWBHLG-AMOLWHMGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCC/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 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 LTB4
External Links
Pubchem CID	5280492
LIPID MAPS	LMFA03020001
ChEBI ID	15647
KEGG ID	C02165
HMDB ID	HMDB0001085
Chemspider ID	4444132
MetaCyc ID	6Z8E10E14Z-5S12R-512-DIHYDROXYI
Spectral data for 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 LTB4

Rxn ID	KEGG Reaction	Enzyme
R03057	Leukotriene A4 + H2O <=> Leukotriene B4	(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyicosa-7,9,11,14-tetraenoate hydrolase
R03863	Leukotriene B4 + NAD+ <=> 12-Keto-leukotriene B4 + H+ + NADH	prostaglandin reductase 3 [EC:1.3.1.48]
R03864	Leukotriene B4 + NADP+ <=> 12-Keto-leukotriene B4 + H+ + NADPH	prostaglandin reductase 3 [EC:1.3.1.48]
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 LTB4

Pathway ID	Human Pathway	# of reactions
hsa00590	Arachidonic acid metabolism	4