RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0134983
RefMet name	alpha-Aminoadipic acid
Alternative name	alpha-Aminoadipic-acid
Systematic name	2-amino-hexanedioic acid
Synonyms	PubChem Synonyms
Exact mass	161.068809 (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	C6H11NO4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	2017 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey	OYIFNHCXNCRBQI-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CC(C(=O)O)N)CC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of alpha-Aminoadipic acid 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 alpha-Aminoadipic acid
External Links
Pubchem CID	469
LIPID MAPS	LMFA01170098
ChEBI ID	37024
KEGG ID	C00956
HMDB ID	HMDB0302754
Chemspider ID	456
MetaCyc ID	CPD-468
Spectral data for alpha-Aminoadipic acid standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
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 alpha-Aminoadipic acid

Rxn ID	KEGG Reaction	Enzyme
R01939	L-2-Aminoadipate + 2-Oxoglutarate <=> 2-Oxoadipate + L-Glutamate	L-2-aminoadipate:2-oxoglutarate aminotransferase
R03102	L-2-Aminoadipate 6-semialdehyde + NAD+ + H2O <=> L-2-Aminoadipate + NADH + H+	L-2-aminoadipate-6-semialdehyde:NAD+ 6-oxidoreductase
R03103	L-2-Aminoadipate 6-semialdehyde + NADP+ + H2O <=> L-2-Aminoadipate + NADPH + H+	L-2-aminoadipate-6-semialdehyde:NADP+ 6-oxidoreductase
R13037	L-2-Aminoadipate 6-semialdehyde <=> L-2-Aminoadipate	L-aminoadipate-semialdehyde dehydrogenase

Table of KEGG human pathways containing alpha-Aminoadipic acid

Pathway ID	Human Pathway	# of reactions
hsa00310	Lysine degradation	3
hsa01100	Metabolic pathways	3
hsa01210	2-Oxocarboxylic acid metabolism	1