RefMet Compound Details

MW structure	436 (View MW Metabolite Database details)
RefMet name	Arachidonic acid
Alternative name	FA 20:4(5Z,8Z,11Z,14Z)
Systematic name	5Z,8Z,11Z,14Z-eicosatetraenoic acid
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	FA 20:4	View other entries in RefMet with this sum composition
Exact mass	304.240230 (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	C20H32O2	View other entries in RefMet with this formula
InChI	InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,2 2)/b7-6-,10-9-,13-12-,16-15-
InChIKey	YZXBAPSDXZZRGB-DOFZRALJSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Unsaturated FA
Pubchem CID	444899
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Arachidonic acid

Rxn ID	KEGG Reaction	Enzyme
R01317	Phosphatidylcholine + H2O <=> 1-Acyl-sn-glycero-3-phosphocholine + Arachidonate	phosphatidylcholine 2-acylhydrolase
R01593	Arachidonate + Oxygen <=> 15(S)-HPETE	arachidonate:oxygen 15-oxidoreductase
R07038	Arachidonate + Oxygen <=> 12(R)-HPETE	Arachidonate: oxygen 12-oxidoreductase
R07051	Arachidonate + Oxygen + NADPH + H+ <=> 8,9-EET + NADP+ + H2O	Arachidonate + Oxygen + NADPH + H+ <=> 8,9-EET + NADP+ + H2O
R07052	Arachidonate + Oxygen + NADPH + H+ <=> 5,6-EET + NADP+ + H2O	Arachidonate + Oxygen + NADPH + H+ <=> 5,6-EET + NADP+ + H2O
R01590	Arachidonate + 2 Oxygen <=> Prostaglandin G2	Arachidonate:oxygen oxidoreductase
R07050	Arachidonate + Oxygen + NADPH + H+ <=> 11,12-EET + NADP+ + H2O	Arachidonate + Oxygen + NADPH + H+ <=> 11,12-EET + NADP+ + H2O
R01596	Arachidonate + Oxygen <=> 12(S)-HPETE	arachidonate:oxygen 12-oxidoreductase
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
R01595	Arachidonate + Oxygen <=> 5(S)-HPETE	Arachidonate:oxygen 5-oxidoreductase
R07041	Arachidonate + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> 20-HETE + [Oxidized NADPH---hemoprotein reductase] + H2O	Arachidonic acid:oxygen 1-oxidoreductase
R08183	Arachidonyl-CoA + H2O <=> CoA + Arachidonate	Arachidonyl-CoA + H2O <=> CoA + Arachidonate
R07053	Arachidonate + Oxygen <=> 8(S)-HPETE	Arachidonate:oxygen 8-oxidoreductase
R07048	Arachidonate + Oxygen + NADPH + H+ <=> 14,15-EET + NADP+ + H2O	Arachidonate + Oxygen + NADPH + H+ <=> 14,15-EET + NADP+ + H2O

Table of KEGG human pathways containing Arachidonic acid

Pathway ID	Human Pathway	# of reactions
hsa00590	Arachidonic acid metabolism	13
hsa01040	Biosynthesis of unsaturated fatty acids	1