RefMet Compound Details

MW structure	37126 (View MW Metabolite Database details)
RefMet name	Aspartic acid
Systematic name	(2S)-2-aminobutanedioic acid
SMILES	C([C@@H](C(=O)O)N)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	133.037509 (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	C4H7NO4	View other entries in RefMet with this formula
InChI	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey	CKLJMWTZIZZHCS-REOHCLBHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Pubchem CID	5960
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Aspartic acid

Rxn ID	KEGG Reaction	Enzyme
R00487	Acetyl-CoA + L-Aspartate <=> CoA + N-Acetyl-L-aspartate	acetyl-CoA:L-aspartate N-acetyltransferase
R00483	ATP + L-Aspartate + Ammonia <=> AMP + Diphosphate + L-Asparagine	L-aspartate:ammonia ligase (AMP-forming)
R00488	N-Acetyl-L-aspartate + H2O <=> Acetate + L-Aspartate	N-Acetyl-L-aspartate amidohydrolase
R05577	tRNA(Asp) + L-Aspartate + ATP <=> L-Aspartyl-tRNA(Asp) + Diphosphate + AMP	L-Aspartate:tRNA(Asp) ligase (AMP-forming)
R07407	L-Aspartate + NADP+ <=> Iminoaspartate + NADPH + H+	L-aspartate:NADP+ oxidoreductase (deaminating)
R00526	N-Formyl-L-aspartate + H2O <=> Formate + L-Aspartate	N-Formyl-L-aspartate amidohydrolase
R00489	L-Aspartate <=> beta-Alanine + CO2	L-aspartate 1-carboxy-lyase (beta-alanine-forming)
R00485	L-Asparagine + H2O <=> L-Aspartate + Ammonia	L-asparagine amidohydrolase
R00578	ATP + L-Aspartate + L-Glutamine + H2O <=> AMP + Diphosphate + L-Asparagine + L-Glutamate	L-aspartate:L-glutamine amido-ligase (AMP-forming)
R00481	L-Aspartate + Oxygen <=> Iminoaspartate + Hydrogen peroxide	L-aspartate:oxygen oxidoreductase
R00357	L-Aspartate + H2O + Oxygen <=> Oxaloacetate + Ammonia + Hydrogen peroxide	L-Aspartic acid:oxygen oxidoreductase (deaminating)
R01397	Carbamoyl phosphate + L-Aspartate <=> Orthophosphate + N-Carbamoyl-L-aspartate	carbamoyl-phosphate:L-aspartate carbamoyltransferase
R00355	L-Aspartate + 2-Oxoglutarate <=> Oxaloacetate + L-Glutamate	L-Aspartate:2-oxoglutarate aminotransferase
R07410	L-Aspartate + NAD+ <=> Iminoaspartate + NADH + H+	L-aspartate:NAD+ oxidoreductase (deaminating)
R01135	GTP + IMP + L-Aspartate <=> GDP + Orthophosphate + N6-(1,2-Dicarboxyethyl)-AMP	IMP:L-aspartate ligase (GDP-forming)
R01954	ATP + L-Citrulline + L-Aspartate <=> AMP + Diphosphate + N-(L-Arginino)succinate	L-Citrulline:L-aspartate ligase (AMP-forming)

Table of KEGG human pathways containing Aspartic acid

Pathway ID	Human Pathway	# of reactions
hsa00250	Alanine, aspartate and glutamate metabolism	7
hsa01100	Metabolic pathways	4
hsa01240	Biosynthesis of cofactors	3
hsa01230	Biosynthesis of amino acids	3
hsa00220	Arginine biosynthesis	2
hsa00760	Nicotinate and nicotinamide metabolism	2
hsa00970	Aminoacyl-tRNA biosynthesis	1
hsa00770	Pantothenate and CoA biosynthesis	1
hsa01200	Carbon metabolism	1
hsa01210	2-Oxocarboxylic acid metabolism	1
hsa00410	beta-Alanine metabolism	1
hsa00340	Histidine metabolism	1