RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153263
RefMet name	gamma-Aminobutyric acid
Systematic name	4-amino-butanoic acid
Synonyms	PubChem Synonyms
Exact mass	103.063329 (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	C4H9NO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	1864 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKey	BTCSSZJGUNDROE-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CC(=O)O)CN Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Amino FA
Distribution of gamma-Aminobutyric 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 gamma-Aminobutyric acid
External Links
Pubchem CID	119
LIPID MAPS	LMFA01100039
ChEBI ID	16865
KEGG ID	C00334
HMDB ID	HMDB0000112
Chemspider ID	116
MetaCyc ID	4-AMINO-BUTYRATE
Spectral data for gamma-Aminobutyric 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 gamma-Aminobutyric acid

Rxn ID	KEGG Reaction	Enzyme
R00261	L-Glutamate <=> 4-Aminobutanoate + CO2	L-glutamate 1-carboxy-lyase (4-aminobutanoate-forming)
R01648	4-Aminobutanoate + 2-Oxoglutarate <=> Succinate semialdehyde + L-Glutamate	4-aminobutanoate:2-oxoglutarate aminotransferase
R01986	4-Aminobutyraldehyde + NADP+ + H2O <=> 4-Aminobutanoate + NADPH + H+	4-Aminobutyraldehyde:NAD+ oxidoreductase
R01989	L-Arginine + 4-Aminobutanoate <=> L-Ornithine + 4-Guanidinobutanoate	L-Arginine:4-aminobutanoate amidinotransferase
R01990	4-Guanidinobutanoate + H2O <=> 4-Aminobutanoate + Urea	4-Guanidinobutanoate amidinohydrolase
R01991	ATP + L-Histidine + 4-Aminobutanoate <=> ADP + Orthophosphate + Homocarnosine	L-histidine:4-aminobutanoate ligase (ADP-forming)
R01992	Homocarnosine + H2O <=> 4-Aminobutanoate + L-Histidine	alpha-Aminobutyryl histidine hydrolase
R02549	4-Aminobutyraldehyde + NAD+ + H2O <=> 4-Aminobutanoate + NADH + H+	4-aminobutanal:NAD+ 1-oxidoreductase
R10178	4-Aminobutanoate + Pyruvate <=> Succinate semialdehyde + L-Alanine	4-aminobutanoate:pyruvate aminotransferase

Table of KEGG human pathways containing gamma-Aminobutyric acid

Pathway ID	Human Pathway	# of reactions
hsa00330	Arginine and proline metabolism	5
hsa01100	Metabolic pathways	4
hsa00250	Alanine, aspartate and glutamate metabolism	2
hsa00650	Butanoate metabolism	2