RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153796
RefMet name	LTA4
Systematic name	5S,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:5;O	View other entries in RefMet with this sum composition
Exact mass	318.219495 (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	C20H30O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2581 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,2 2)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1
InChIKey	UFPQIRYSPUYQHK-WAQVJNLQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@H](CCCC(=O)O)O1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Eicosanoids
Sub Class	Leukotrienes
Distribution of LTA4 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 LTA4
External Links
Pubchem CID	5280383
LIPID MAPS	LMFA03020023
ChEBI ID	15651
KEGG ID	C00909
HMDB ID	HMDB0001337
Chemspider ID	4444074
MetaCyc ID	CPD-8892
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 LTA4

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
R03058	5(S)-HPETE <=> Leukotriene A4 + H2O	arachidonate:oxygen 5-oxidoreductase
R03059	Leukotriene A4 + Glutathione <=> Leukotriene C4	(7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyicosa-7,9,11,14-tetraenoate:glutathione leukotriene-transferase (epoxide-ring-opening)

Table of KEGG human pathways containing LTA4

Pathway ID	Human Pathway	# of reactions
hsa00590	Arachidonic acid metabolism	3