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Showing metabocard for gamma-Aminobutyric acid (HMDB0000112)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:14:31 UTC
HMDB IDHMDB0000112
Secondary Accession Numbers
  • HMDB00112
Metabolite Identification
Common Namegamma-Aminobutyric acid
Descriptiongamma-Aminobutyric acid (GABA) is an inhibitory neurotransmitter found in the nervous systems of widely divergent species, including humans. It is the chief inhibitory neurotransmitter in the vertebrate central nervous system. In vertebrates, GABA acts at inhibitory synapses in the brain. It acts by binding to specific transmembrane receptors in the plasma membrane of both pre- and postsynaptic neurons. This binding causes the opening of ion channels to allow either the flow of negatively-charged chloride ions into the cell or positively-charged potassium ions out of the cell. This will typically result in a negative change in the transmembrane potential, usually causing hyperpolarization. Three general classes of GABA receptor are known (PMID: 10561820 ). These include GABA-A and GABA-C ionotropic receptors, which are ion channels themselves, and GABA-B metabotropic receptors, which are G protein-coupled receptors that open ion channels via intermediaries known as G proteins (PMID: 10561820 ). Activation of the GABA-B receptor by GABA causes neuronal membrane hyperpolarization and a resultant inhibition of neurotransmitter release. In addition to binding sites for GABA, the GABA-A receptor has binding sites for benzodiazepines, barbiturates, and neurosteroids. GABA-A receptors are coupled to chloride ion channels. Therefore, activation of the GABA-A receptor induces increased inward chloride ion flux, resulting in membrane hyperpolarization and neuronal inhibition (PMID: 10561820 ). After release into the synapse, free GABA that does not bind to either the GABA-A or GABA-B receptor complexes can be taken up by neurons and glial cells. Four different GABA membrane transporter proteins (GAT-1, GAT-2, GAT-3, and BGT-1), which differ in their distribution in the CNS, are believed to mediate the uptake of synaptic GABA into neurons and glial cells. The GABA-A receptor subtype regulates neuronal excitability and rapid changes in fear arousal, such as anxiety, panic, and the acute stress response (PMID: 10561820 ). Drugs that stimulate GABA-A receptors, such as the benzodiazepines and barbiturates, have anxiolytic and anti-seizure effects via GABA-A-mediated reduction of neuronal excitability, which effectively raises the seizure threshold. GABA-A antagonists produce convulsions in animals and there is decreased GABA-A receptor binding in a positron emission tomography (PET) study of patients with panic disorder. Neurons that produce GABA as their output are called GABAergic neurons and have chiefly inhibitory action at receptors in the vertebrate. Medium spiny neurons (MSNs) are a typical example of inhibitory CNS GABAergic cells. GABA has been shown to have excitatory roles in the vertebrate, most notably in the developing cortex. Organisms synthesize GABA from glutamate using the enzyme L-glutamic acid decarboxylase and pyridoxal phosphate as a cofactor (PMID: 12467378 ). It is worth noting that this involves converting the principal excitatory neurotransmitter (glutamate) into the principal inhibitory one (GABA). Drugs that act as agonists of GABA receptors (known as GABA analogs or GABAergic drugs), or increase the available amount of GABA typically have relaxing, anti-anxiety, and anti-convulsive effects. GABA is found to be deficient in cerebrospinal fluid and the brain in many studies of experimental and human epilepsy. Benzodiazepines (such as Valium) are useful in status epilepticus because they act on GABA receptors. GABA increases in the brain after administration of many seizure medications. Hence, GABA is clearly an antiepileptic nutrient. Inhibitors of GAM metabolism can also produce convulsions. Spasticity and involuntary movement syndromes, such as Parkinson's, Friedreich's ataxia, tardive dyskinesia, and Huntington's chorea, are all marked by low GABA when amino acid levels are studied. Trials of 2 to 3 g of GABA given orally have been effective in various epilepsy and spasticity syndromes. Agents that elevate GABA are also useful in lowering hypertension. Three grams orally have been effective in controlling blood pressure. GABA is decreased in various encephalopathies. GABA can reduce appetite and is decreased in hypoglycemics. GABA reduces blood sugar in diabetics. Chronic brain syndromes can also be marked by deficiencies of GABA. Vitamin B6, manganese, taurine, and lysine can increase both GABA synthesis and effects, while aspartic acid and glutamic acid probably inhibit GABA effects. Low plasma GABA has been reported in some depressed patients and may be a useful trait marker for mood disorders. GABA has an important role in embryonic development, especially facial development, as substantiated by the association of a cleft palate in transgenic mice deficient in GAD67 (glutamate decarboxylase). A recent Japanese population study reported linkage in patients with a nonsyndromic cleft lip with or without a cleft palate and specific GAD67 haplotypes (PMID: 23842532 ). Unusually high levels of GABA (especially in the brain) can be toxic and GABA can function as both a neurotoxin and a metabotoxin. A neurotoxin is a compound that damages the brain and/or nerve tissue. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of GABA are associated with at least five inborn errors of metabolism, including D-2-hydroxyglutaric aciduria, 4-hydroxybutyric aciduria/succinic semialdehyde dehydrogenase deficiency, GABA-transaminase deficiency, homocarnosinosis, and hyper beta-alaninemia. Nearly all of these conditions are associated with seizures, hypotonia, intellectual deficits, macrocephaly, encephalopathy, and other serious neurological or neuromuscular problems. Increased levels of GABA seem to alter the function of the GABA-B receptor, which may play a role in the tonic-clonic seizures that are often seen in patients with the above disorders. GABA is also a microbial metabolite, urinary GABA is produced by Lactobacillus and Bifidobacterium (PMID: 24621061 ).
Structure
Data?1676999671
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000112 (gamma-Aminobutyric acid)


  Mrv1652309272007392D          

  7  6  0  0  1  0            999 V2000
   -1.0266   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3121   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4023   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1168   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312   -0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  3  2  0  0  0  0
  2  1  1  0  0  0  0
M  END
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3D MOL for HMDB0000112 (gamma-Aminobutyric acid)

HMDB0000112
     RDKit          3D
gamma-Aminobutyric acid
 16 15  0  0  0  0  0  0  0  0999 V2000
   -2.1886    0.4309    0.7253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -0.5598   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2009   -0.8117   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525    0.3807   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711   -0.0374   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -1.2170    0.2021 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0953    0.8732   -0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799    0.6869    1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473    1.2385    0.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -0.3465   -1.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1802   -1.5350    0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0568   -1.6122   -0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0776   -1.2303    0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609    1.1575    0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5608    0.7780   -1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    1.8042    0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  7 16  1  0
M  END
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3D SDF for HMDB0000112 (gamma-Aminobutyric acid)


  Mrv1652309272007392D          

  7  6  0  0  1  0            999 V2000
   -1.0266   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -0.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266    0.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3121   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4023   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1168   -0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312   -0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  3  2  0  0  0  0
  2  1  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000112

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

> <INCHI_KEY>
BTCSSZJGUNDROE-UHFFFAOYSA-N

> <FORMULA>
C4H9NO2

> <MOLECULAR_WEIGHT>
103.1198

> <EXACT_MASS>
103.063328537

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
10.620172993817706

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-aminobutanoic acid

> <ALOGPS_LOGP>
-2.99

> <JCHEM_LOGP>
-2.8856771979836466

> <ALOGPS_LOGS>
0.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.527850005009431

> <JCHEM_PKA_STRONGEST_BASIC>
10.21520969871372

> <JCHEM_POLAR_SURFACE_AREA>
63.32

> <JCHEM_REFRACTIVITY>
25.4578

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.65e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
gamma(amino)-butyric acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0000112 (gamma-Aminobutyric acid)

HMDB0000112
     RDKit          3D
gamma-Aminobutyric acid
 16 15  0  0  0  0  0  0  0  0999 V2000
   -2.1886    0.4309    0.7253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6725   -0.5598   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2009   -0.8117   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525    0.3807   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0711   -0.0374   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -1.2170    0.2021 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0953    0.8732   -0.3004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799    0.6869    1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473    1.2385    0.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -0.3465   -1.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1802   -1.5350    0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0568   -1.6122   -0.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0776   -1.2303    0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609    1.1575    0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5608    0.7780   -1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    1.8042    0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  7 16  1  0
M  END
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PDB for HMDB0000112 (gamma-Aminobutyric acid)

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0      -1.916  -0.397   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -3.250  -1.167   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      -1.916   1.143   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.583  -1.167   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.751  -0.397   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.085  -1.167   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       3.418  -0.397   0.000  0.00  0.00           N+0
CONECT    1    4    3    2                                                  
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4    1    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   12    0
END
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3D PDB for HMDB0000112 (gamma-Aminobutyric acid)

COMPND    HMDB0000112
HETATM    1  N1  UNL     1      -2.189   0.431   0.725  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.673  -0.560  -0.150  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.201  -0.812  -0.019  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.653   0.381  -0.285  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.071  -0.037  -0.114  1.00  0.00           C  
HETATM    6  O1  UNL     1       2.400  -1.217   0.202  1.00  0.00           O  
HETATM    7  O2  UNL     1       3.095   0.873  -0.300  1.00  0.00           O  
HETATM    8  H1  UNL     1      -1.580   0.687   1.523  1.00  0.00           H  
HETATM    9  H2  UNL     1      -2.647   1.239   0.268  1.00  0.00           H  
HETATM   10  H3  UNL     1      -1.964  -0.346  -1.183  1.00  0.00           H  
HETATM   11  H4  UNL     1      -2.180  -1.535   0.112  1.00  0.00           H  
HETATM   12  H5  UNL     1       0.057  -1.612  -0.761  1.00  0.00           H  
HETATM   13  H6  UNL     1       0.078  -1.230   0.969  1.00  0.00           H  
HETATM   14  H7  UNL     1       0.461   1.157   0.480  1.00  0.00           H  
HETATM   15  H8  UNL     1       0.561   0.778  -1.313  1.00  0.00           H  
HETATM   16  H9  UNL     1       3.058   1.804   0.128  1.00  0.00           H  
CONECT    1    2    8    9
CONECT    2    3   10   11
CONECT    3    4   12   13
CONECT    4    5   14   15
CONECT    5    6    6    7
CONECT    7   16
END
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SMILES for HMDB0000112 (gamma-Aminobutyric acid)

NCCCC(O)=O
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INCHI for HMDB0000112 (gamma-Aminobutyric acid)

InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
4-Aminobutanoic acidChEBI
4-Aminobutyric acidChEBI
4AbuChEBI
GABAChEBI
GAMMA-AMINO-butanoIC ACIDChEBI
gamma-Amino-N-butyric acidChEBI
gamma-Aminobutanoic acidChEBI
gamma-AminobuttersaeureChEBI
Omega-aminobutyric acidChEBI
Piperidic acidChEBI
Piperidinic acidChEBI
4-AminobutyrateKegg
GammalonKegg
4-AminobutanoateGenerator
g-AMINO-butanoateGenerator
g-AMINO-butanoic acidGenerator
gamma-AMINO-butanoateGenerator
Γ-amino-butanoateGenerator
Γ-amino-butanoic acidGenerator
g-Amino-N-butyrateGenerator
g-Amino-N-butyric acidGenerator
gamma-Amino-N-butyrateGenerator
Γ-amino-N-butyrateGenerator
Γ-amino-N-butyric acidGenerator
g-AminobutanoateGenerator
g-Aminobutanoic acidGenerator
gamma-AminobutanoateGenerator
Γ-aminobutanoateGenerator
Γ-aminobutanoic acidGenerator
g-AminobuttersaeureGenerator
Γ-aminobuttersaeureGenerator
Omega-aminobutyrateGenerator
PiperidateGenerator
PiperidinateGenerator
g-AminobutyrateGenerator
g-Aminobutyric acidGenerator
gamma-AminobutyrateGenerator
Γ-aminobutyrateGenerator
Γ-aminobutyric acidGenerator
3-CarboxypropylamineHMDB
AminalonHMDB
GaballonHMDB
GamarexHMDB
gamma AminobutyrateHMDB
gamma Aminobutyric acidHMDB
GammaloneHMDB
GammarHMDB
GammasolHMDB
MielogenHMDB
MielomadeHMDB
W-AminobutyrateHMDB
W-Aminobutyric acidHMDB
gamma-Aminobutyric acid, calcium salt (2:1)HMDB
gamma-Aminobutyric acid, hydrochlorideHMDB
gamma-Aminobutyric acid, zinc salt (2:1)HMDB
4 Aminobutanoic acidHMDB
4 Aminobutyric acidHMDB
Lithium gabaHMDB
gamma Aminobutyric acid, monolithium saltHMDB
gamma Aminobutyric acid, monosodium saltHMDB
gamma-Aminobutyric acid, monolithium saltHMDB
gamma-Aminobutyric acid, monosodium saltHMDB
Acid, hydrochloride gamma-aminobutyricHMDB
AminaloneHMDB
GABA, lithiumHMDB
Hydrochloride gamma-aminobutyric acidHMDB
gamma Aminobutyric acid, hydrochlorideHMDB
4-Amino-butanoateHMDB
gamma-Aminobutyric acidKEGG
Chemical FormulaC4H9NO2
Average Molecular Weight103.1198
Monoisotopic Molecular Weight103.063328537
IUPAC Name4-aminobutanoic acid
Traditional Namegamma(amino)-butyric acid
CAS Registry Number56-12-2
SMILES
NCCCC(O)=O
InChI Identifier
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChI KeyBTCSSZJGUNDROE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGamma amino acids and derivatives
Alternative Parents
Substituents
  • Gamma amino acid or derivatives
  • Amino fatty acid
  • Straight chain fatty acid
  • Fatty acid
  • Fatty acyl
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Industrial applicationBiological roleIndirect biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point203 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1300 mg/mLNot Available
LogP-3.17HANSCH,C ET AL. (1995)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility365 g/LALOGPS
logP-3ALOGPS
logP-2.9ChemAxon
logS0.55ALOGPS
pKa (Strongest Acidic)4.53ChemAxon
pKa (Strongest Basic)10.22ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity25.46 m³·mol⁻¹ChemAxon
Polarizability10.62 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+119.9731661259
DarkChem[M-H]-115.81931661259
AllCCS[M+H]+125.70732859911
AllCCS[M-H]-124.80432859911
DeepCCS[M+H]+133.68230932474
DeepCCS[M-H]-130.9230932474
DeepCCS[M-2H]-167.27930932474
DeepCCS[M+Na]+141.82630932474
AllCCS[M+H]+125.732859911
AllCCS[M+H-H2O]+121.432859911
AllCCS[M+NH4]+129.732859911
AllCCS[M+Na]+130.932859911
AllCCS[M-H]-124.832859911
AllCCS[M+Na-2H]-128.732859911
AllCCS[M+HCOO]-132.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
gamma-Aminobutyric acidNCCCC(O)=O1968.2Standard polar33892256
gamma-Aminobutyric acidNCCCC(O)=O1104.7Standard non polar33892256
gamma-Aminobutyric acidNCCCC(O)=O1051.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
gamma-Aminobutyric acid,1TMS,isomer #1C[Si](C)(C)OC(=O)CCCN1113.0Semi standard non polar33892256
gamma-Aminobutyric acid,1TMS,isomer #2C[Si](C)(C)NCCCC(=O)O1264.8Semi standard non polar33892256
gamma-Aminobutyric acid,2TMS,isomer #1C[Si](C)(C)NCCCC(=O)O[Si](C)(C)C1300.1Semi standard non polar33892256
gamma-Aminobutyric acid,2TMS,isomer #1C[Si](C)(C)NCCCC(=O)O[Si](C)(C)C1368.7Standard non polar33892256
gamma-Aminobutyric acid,2TMS,isomer #1C[Si](C)(C)NCCCC(=O)O[Si](C)(C)C1439.7Standard polar33892256
gamma-Aminobutyric acid,2TMS,isomer #2C[Si](C)(C)N(CCCC(=O)O)[Si](C)(C)C1488.4Semi standard non polar33892256
gamma-Aminobutyric acid,2TMS,isomer #2C[Si](C)(C)N(CCCC(=O)O)[Si](C)(C)C1431.6Standard non polar33892256
gamma-Aminobutyric acid,2TMS,isomer #2C[Si](C)(C)N(CCCC(=O)O)[Si](C)(C)C1692.0Standard polar33892256
gamma-Aminobutyric acid,3TMS,isomer #1C[Si](C)(C)OC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C1545.2Semi standard non polar33892256
gamma-Aminobutyric acid,3TMS,isomer #1C[Si](C)(C)OC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C1515.6Standard non polar33892256
gamma-Aminobutyric acid,3TMS,isomer #1C[Si](C)(C)OC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C1460.1Standard polar33892256
gamma-Aminobutyric acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCN1340.0Semi standard non polar33892256
gamma-Aminobutyric acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC(=O)O1499.2Semi standard non polar33892256
gamma-Aminobutyric acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC(=O)O[Si](C)(C)C(C)(C)C1771.0Semi standard non polar33892256
gamma-Aminobutyric acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC(=O)O[Si](C)(C)C(C)(C)C1755.2Standard non polar33892256
gamma-Aminobutyric acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC(=O)O[Si](C)(C)C(C)(C)C1705.0Standard polar33892256
gamma-Aminobutyric acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCCC(=O)O)[Si](C)(C)C(C)(C)C1910.8Semi standard non polar33892256
gamma-Aminobutyric acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCCC(=O)O)[Si](C)(C)C(C)(C)C1829.0Standard non polar33892256
gamma-Aminobutyric acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCCC(=O)O)[Si](C)(C)C(C)(C)C1837.2Standard polar33892256
gamma-Aminobutyric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2179.0Semi standard non polar33892256
gamma-Aminobutyric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2107.0Standard non polar33892256
gamma-Aminobutyric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1845.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00dj-1900000000-f831f79dfcaeffa8b1772014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00di-1900000000-2de9d92a2cfc7bc655f42014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00di-1900000000-73bbf2ee0803f058dbed2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00di-1901000000-85d4bd98af8534428b5a2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00di-0900000000-6be23968e972a414be512014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-00di-1900000000-9a224763afd8ca892add2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00di-9800000000-d8906d09ca1872a6391c2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-MS (2 TMS)splash10-0udi-1900000000-54db7e217904010455192014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-MS (3 TMS)splash10-00di-1901000000-b047af158215c2b5b8e82014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid EI-B (Non-derivatized)splash10-001i-9000000000-21ea76dfb0da62031f1d2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid EI-B (Non-derivatized)splash10-00di-0901000000-5d60b0a446fd8122f6132017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-00dj-1900000000-f831f79dfcaeffa8b1772017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-00di-1900000000-2de9d92a2cfc7bc655f42017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-00di-1900000000-73bbf2ee0803f058dbed2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-00di-1901000000-85d4bd98af8534428b5a2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-00di-0900000000-6be23968e972a414be512017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-00di-1900000000-9a224763afd8ca892add2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-00di-9800000000-d8906d09ca1872a6391c2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-MS (Non-derivatized)splash10-0udi-1900000000-54db7e217904010455192017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-MS (Non-derivatized)splash10-00di-1901000000-b047af158215c2b5b8e82017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-00dj-1900000000-1219470a0be188da64e62017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-0udi-0900000000-f7117dfaf9d856c959192017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Aminobutyric acid GC-EI-TOF (Non-derivatized)splash10-0006-1900000000-e35585a985d8128d044e2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Aminobutyric acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-d5f55a414ff1e8c65d9d2016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Aminobutyric acid GC-MS (1 TMS) - 70eV, Positivesplash10-0fk9-9700000000-4b2809309587240dd4792017-10-06Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-dbf4f9e19a35f953a1892014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0uxr-8900000000-ce0d8f44422836cd99652012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-0005-9000000000-8ce5afb97d7c08821da32012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0005-9100000000-32c433b2c916697690f82012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0udi-0900000000-5831aaabdf53f3132ae52012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0a4i-9000000000-9babfd4a6937ecba73182012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0a4i-9000000000-e1c0c1485d846e9b123b2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0udi-0900000000-647d55ecf98850e7a8752012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0udi-0900000000-7c107641a38922c88fca2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-000i-9000000000-86718b349efad6334e3a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-000i-9000000000-a1e84e55e4b6c6628d5d2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0006-0009000000-29c22bf0ed844d09c0af2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOFsplash10-0udi-0900000000-1d00adad47e42c60c3402012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOFsplash10-0udi-1900000000-47b195fb74720cc994642012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOFsplash10-001i-9000000000-a14a52dc59bf9988bb442012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-0udi-5900000000-20c55b2809389d5ad83b2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-000i-9000000000-eca4c5aefca98751a11e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-014j-9000000000-f0783316e092917494092012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-0005-9000000000-81837eb9c0b926cb0e812012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-0005-9000000000-8b48126992d7fa2426362012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Aminobutyric acid LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOFsplash10-000i-9000000000-7d4636efbc4e5d75872e2012-08-31HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Aminobutyric acid 10V, Positive-QTOFsplash10-000i-9100000000-655f9d93a35bfa5375832015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Aminobutyric acid 20V, Positive-QTOFsplash10-00ku-9000000000-4a334d5e272576f624032015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Aminobutyric acid 40V, Positive-QTOFsplash10-0006-9000000000-4a13b03446b3370ccd432015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Aminobutyric acid 10V, Positive-QTOFsplash10-000i-9100000000-655f9d93a35bfa5375832015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Aminobutyric acid 20V, Positive-QTOFsplash10-00ku-9000000000-4a334d5e272576f624032015-05-27Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Mitochondria
  • Lysosome
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Urine
Tissue Locations
  • Adrenal Cortex
  • Brain
  • Epidermis
  • Fibroblasts
  • Kidney
  • Neuron
  • Placenta
  • Skeletal Muscle
  • Spleen
  • Testis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.110 +/- 0.023 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.120-0.500 uMChildren (1 - 13 years old)BothNormal
    • Physician's Guide...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.24 +/- 0.096 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0200-0.100 uMNewborn (0-30 days old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.32 (0.2 -0.45) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.23 +/- 0.075 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.233 +/- 0.075 uMNot SpecifiedNot SpecifiedNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.093 (0.083-0.10) uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedNormal details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedBoth
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected and Quantified4363.856 (2909.238-5818.475) nmol/g wet fecesInfant (0-1 year old)Not Specified
Normal		 details
FecesDetected and Quantified6658.922 (2812.263-10505.580) nmol/g wet fecesInfant (0-1 year old)Not Specified
Normal		 details
FecesDetected and Quantified4202.232 (2359.715-6044.749) nmol/g wet fecesInfant (0-1 year old)Not Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
FecesDetected and Quantified576.999 +/- 520.754 nmol/g wet fecesNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
SalivaDetected and Quantified>10 uMAdult (>18 years old)BothNormal details
SalivaDetected and Quantified1.23 +/- 0.57 uMAdult (>18 years old)FemaleNormal details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
UrineDetected and Quantified<0.68 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified0.09 +/- 0.10 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected and Quantified<0.461 umol/mmol creatinineAdult (>18 years old)BothNormal
      Not Available
 details
UrineDetected and Quantified<0.57 umol/mmol creatinineAdolescent (13-18 years old)Not SpecifiedNormal details
UrineDetected and Quantified8.037 +/- 2.502 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected and Quantified0.17 +/- 0.025 umol/mmol creatinineAdult (>18 years old)FemaleNormal details
UrineDetected and Quantified0.25 +/- 0.20 umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified<0.57 umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified1.3 (0.0-2.8) umol/mmol creatinineNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified<2.83 umol/mmol creatinineInfant (0-1 year old)Not SpecifiedNormal details
UrineDetected and Quantified<1.47 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified103.89 (72.43 – 169.51) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Lorena Ivona ŞTEF...
 details
UrineDetected and Quantified2.26 +/- 10.18 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified4.52 +/- 18.09 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified<1.24 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified17-20 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified2.9 (2.7-3.3) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.46 +/- 0.11 uMAdult (>18 years old)BothHepatic encephalopathy details
BloodDetected and Quantified1.0 (0.0-2.0) uMAdult (>18 years old)BothGaba-transaminase deficiency
    • MetaGene: Metabol...
 details
BloodDetected and Quantified1.45 (0.00-2.9) uMChildren (1-13 years old)BothGABA transaminase deficiency
    • MetaGene: Metabol...
 details
BloodDetected and Quantified1.84 +/- 0.215 uMElderly (>65 years old)BothAlzheimer's disease details
Cerebrospinal Fluid (CSF)Detected and Quantified0.13 +/- 0.043 uMAdult (>18 years old)BothSpinocerebellar degeneration details
Cerebrospinal Fluid (CSF)Detected and Quantified0.011 uMNewborn (0-30 days old)FemaleHyperekplexia details
Cerebrospinal Fluid (CSF)Detected and Quantified1.5 +/- 1.1 uMAdult (>18 years old)Not SpecifiedEpilepsy details
Cerebrospinal Fluid (CSF)Detected and Quantified0.1 (0.063 - 0.179) uMChildren (1-13 years old)Not SpecifiedFebrile seizure details
Cerebrospinal Fluid (CSF)Detected and Quantified0.52 - 0.57 uMChildren (1-13 years old)Not SpecifiedEpilepsy details
Cerebrospinal Fluid (CSF)Detected and Quantified0.11 (0.067 - 0.176) uMChildren (1-13 years old)Not SpecifiedEpilepsy details
Cerebrospinal Fluid (CSF)Detected and Quantified0.05 (0.00-0.10) uMAdult (>18 years old)BothGaba-transaminase deficiency
    • MetaGene: Metabol...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified2.4 (0.00-4.8) uMChildren (1-13 years old)BothGABA transaminase deficiency
    • MetaGene: Metabol...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.1 (0.061 - 0.171) uMChildren (1-13 years old)Both
Meningitis		 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.016 uMInfant (0-1 year old)Not SpecifiedTypical pyridoxine-dependent seizures details
Cerebrospinal Fluid (CSF)Detected and Quantified4.0 +/- 4.2 uMAdult (>18 years old)BothEpilepsy details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0002 +/- 0.000013 uMAdult (>18 years old)BothTuberculous meningitis details
Cerebrospinal Fluid (CSF)Detected and Quantified0.00013 +/- 0.00002 uMAdult (>18 years old)Both
Meningitis		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUlcerative colitis details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUnclassified IBD details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Cryptosporidium infection		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable bowel syndrome		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothOral cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleBreast cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedPancreatic cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedPeriodontal diseases details
SalivaDetected and Quantified1.08 +/- 0.34 uMAdult (>18 years old)MaleAlzheimer's disease details
SalivaDetected and Quantified1.78 +/- 0.50 uMAdult (>18 years old)MaleFrontotemporal lobe dementia details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothOral squamous cell carcinoma (OSCC) details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothOral leukoplakia (OLK) details
SalivaDetected and Quantified5.46 +/- 5.62 uMAdult (>18 years old)BothLewy body disease details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
UrineDetected and Quantified24.545 +/- 17.404 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
UrineDetected and Quantified0.75 (0.00-1.50) umol/mmol creatinineAdult (>18 years old)BothHyper beta-alaninemia
    • MetaGene: Metabol...
 details
UrineDetected and Quantified3.0 (1.5-4.5) umol/mmol creatinineChildren (1-13 years old)BothHyper beta-alaninemia
    • MetaGene: Metabol...
 details
UrineDetected and Quantified118.51 (63.24 – 247.72) umol/mmol creatinineAdult (>18 years old)BothType 1 diabetes Mellitus
    • Lorena Ivona ŞTEF...
 details
Associated Disorders and Diseases
Disease References
Alzheimer's disease
  1. Fonteh AN, Harrington RJ, Tsai A, Liao P, Harrington MG: Free amino acid and dipeptide changes in the body fluids from Alzheimer's disease subjects. Amino Acids. 2007 Feb;32(2):213-24. Epub 2006 Oct 10. [PubMed:17031479 ]
  2. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Hepatic encephalopathy
  1. Campollo O, MacGillivray BB, McIntyre N: [Association of plasma ammonia and GABA levels and the degree of hepatic encephalopathy]. Rev Invest Clin. 1992 Oct-Dec;44(4):483-90. [PubMed:1485027 ]
Gaba-transaminase deficiency
  1. G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de). METAGENE consortium.
Tuberculous meningitis
  1. Qureshi GA, Baig SM, Bednar I, Halawa A, Parvez SH: The neurochemical markers in cerebrospinal fluid to differentiate between aseptic and tuberculous meningitis. Neurochem Int. 1998 Feb;32(2):197-203. [PubMed:9542731 ]
Meningitis
  1. Qureshi GA, Baig SM, Bednar I, Halawa A, Parvez SH: The neurochemical markers in cerebrospinal fluid to differentiate between aseptic and tuberculous meningitis. Neurochem Int. 1998 Feb;32(2):197-203. [PubMed:9542731 ]
  2. Rating D, Siemes H, Loscher W: Low CSF GABA concentration in children with febrile convulsions, untreated epilepsy, and meningitis. J Neurol. 1983;230(4):217-25. [PubMed:6198481 ]
Epilepsy
  1. Spanaki MV, Siegel H, Kopylev L, Fazilat S, Dean A, Liow K, Ben-Menachem E, Gaillard WD, Theodore WH: The effect of vigabatrin (gamma-vinyl GABA) on cerebral blood flow and metabolism. Neurology. 1999 Oct 22;53(7):1518-22. [PubMed:10534261 ]
  2. Rating D, Siemes H, Loscher W: Low CSF GABA concentration in children with febrile convulsions, untreated epilepsy, and meningitis. J Neurol. 1983;230(4):217-25. [PubMed:6198481 ]
Febrile seizures
  1. Rating D, Siemes H, Loscher W: Low CSF GABA concentration in children with febrile convulsions, untreated epilepsy, and meningitis. J Neurol. 1983;230(4):217-25. [PubMed:6198481 ]
Pyridoxine-dependent epilepsy
  1. Kurlemann G, Ziegler R, Gruneberg M, Bomelburg T, Ullrich K, Palm DG: Disturbance of GABA metabolism in pyridoxine-dependent seizures. Neuropediatrics. 1992 Oct;23(5):257-9. [PubMed:1454145 ]
Hyperekplexia
  1. Dubowitz LM, Bouza H, Hird MF, Jaeken J: Low cerebrospinal fluid concentration of free gamma-aminobutyric acid in startle disease. Lancet. 1992 Jul 11;340(8811):80-1. [PubMed:1352015 ]
Irritable bowel syndrome
  1. Ponnusamy K, Choi JN, Kim J, Lee SY, Lee CH: Microbial community and metabolomic comparison of irritable bowel syndrome faeces. J Med Microbiol. 2011 Jun;60(Pt 6):817-27. doi: 10.1099/jmm.0.028126-0. Epub 2011 Feb 17. [PubMed:21330412 ]
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  2. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  3. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Crohn's disease
  1. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Ulcerative colitis
  1. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Perillyl alcohol administration for cancer treatment
  1. Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
Pancreatic cancer
  1. Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
Periodontal disease
  1. Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
Frontotemporal dementia
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Lewy body disease
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Hyper beta-alaninemia
  1. G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de). METAGENE consortium.
Diabetes mellitus type 1
  1. (). Lorena Ivona ŞTEFAN, Alina NICOLESCU, Simona POPA, Maria MOŢA, Eugenia KOVACS and Calin DELEANU. 1H-NMR URINE METABOLIC PROFILING IN TYPE 1 DIABETES MELLITUS. Rev. Roum. Chim., 2010, 55(11-12), 1033-1037 . .
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Associated OMIM IDs
DrugBank IDDB02530
Phenol Explorer Compound IDNot Available
FooDB IDFDB030489
KNApSAcK IDC00001337
Chemspider ID116
KEGG Compound IDC00334
BioCyc ID4-AMINO-BUTYRATE
BiGG ID34652
Wikipedia LinkGamma-Aminobutyric_acid
METLIN IDNot Available
PubChem Compound119
PDB IDNot Available
ChEBI ID16865
Food Biomarker OntologyNot Available
VMH ID4ABUT
MarkerDB IDMDB00013416
Good Scents IDNot Available
References
Synthesis ReferenceMinoshima, Ryoichi. Preparation of gamma-aminobutyric acid with unripened beans. PCT Int. Appl. (2007), 25pp.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Silwood CJ, Lynch E, Claxson AW, Grootveld MC: 1H and (13)C NMR spectroscopic analysis of human saliva. J Dent Res. 2002 Jun;81(6):422-7. [PubMed:12097436 ]
  2. Zarnowska ED, Pearce RA, Saad AA, Perouansky M: The gamma-subunit governs the susceptibility of recombinant gamma-aminobutyric acid type A receptors to block by the nonimmobilizer 1,2-dichlorohexafluorocyclobutane (F6, 2N). Anesth Analg. 2005 Aug;101(2):401-6, table of contents. [PubMed:16037152 ]
  3. Levy LM, Levy-Reis I, Fujii M, Dalakas MC: Brain gamma-aminobutyric acid changes in stiff-person syndrome. Arch Neurol. 2005 Jun;62(6):970-4. [PubMed:15956168 ]
  4. Hasler G, Neumeister A, van der Veen JW, Tumonis T, Bain EE, Shen J, Drevets WC, Charney DS: Normal prefrontal gamma-aminobutyric acid levels in remitted depressed subjects determined by proton magnetic resonance spectroscopy. Biol Psychiatry. 2005 Dec 15;58(12):969-73. Epub 2005 Jul 25. [PubMed:16043137 ]
  5. Denda M, Inoue K, Inomata S, Denda S: gamma-Aminobutyric acid (A) receptor agonists accelerate cutaneous barrier recovery and prevent epidermal hyperplasia induced by barrier disruption. J Invest Dermatol. 2002 Nov;119(5):1041-7. [PubMed:12445190 ]
  6. Wiens SC, Trudeau VL: Thyroid hormone and gamma-aminobutyric acid (GABA) interactions in neuroendocrine systems. Comp Biochem Physiol A Mol Integr Physiol. 2006 Jul;144(3):332-44. Epub 2006 Mar 9. [PubMed:16527506 ]
  7. Choi C, Coupland NJ, Hanstock CC, Ogilvie CJ, Higgins AC, Gheorghiu D, Allen PS: Brain gamma-aminobutyric acid measurement by proton double-quantum filtering with selective J rewinding. Magn Reson Med. 2005 Aug;54(2):272-9. [PubMed:16032672 ]
  8. Metzeler K, Agoston A, Gratzl M: An Intrinsic gamma-aminobutyric acid (GABA)ergic system in the adrenal cortex: findings from human and rat adrenal glands and the NCI-H295R cell line. Endocrinology. 2004 May;145(5):2402-11. Epub 2004 Jan 15. [PubMed:14726441 ]
  9. Naini AB, Vontzalidou E, Cote LJ: Isocratic HPLC assay with electrochemical detection of free gamma-aminobutyric acid in cerebrospinal fluid. Clin Chem. 1993 Feb;39(2):247-50. [PubMed:8432013 ]
  10. Levy LM, Henkin RI: Brain gamma-aminobutyric acid levels are decreased in patients with phantageusia and phantosmia demonstrated by magnetic resonance spectroscopy. J Comput Assist Tomogr. 2004 Nov-Dec;28(6):721-7. [PubMed:15538143 ]
  11. Rating D, Siemes H, Loscher W: Low CSF GABA concentration in children with febrile convulsions, untreated epilepsy, and meningitis. J Neurol. 1983;230(4):217-25. [PubMed:6198481 ]
  12. Spanaki MV, Siegel H, Kopylev L, Fazilat S, Dean A, Liow K, Ben-Menachem E, Gaillard WD, Theodore WH: The effect of vigabatrin (gamma-vinyl GABA) on cerebral blood flow and metabolism. Neurology. 1999 Oct 22;53(7):1518-22. [PubMed:10534261 ]
  13. Campollo O, MacGillivray BB, McIntyre N: [Association of plasma ammonia and GABA levels and the degree of hepatic encephalopathy]. Rev Invest Clin. 1992 Oct-Dec;44(4):483-90. [PubMed:1485027 ]
  14. Nicholson-Guthrie CS, Guthrie GD, Sutton GP, Baenziger JC: Urine GABA levels in ovarian cancer patients: elevated GABA in malignancy. Cancer Lett. 2001 Jan 10;162(1):27-30. [PubMed:11121859 ]
  15. Nisijima K, Ishiguro T: Cerebrospinal fluid levels of monoamine metabolites and gamma-aminobutyric acid in neuroleptic malignant syndrome. J Psychiatr Res. 1995 May-Jun;29(3):233-44. [PubMed:7473299 ]
  16. Chebib M, Johnston GA: The 'ABC' of GABA receptors: a brief review. Clin Exp Pharmacol Physiol. 1999 Nov;26(11):937-40. [PubMed:10561820 ]
  17. Petroff OA: GABA and glutamate in the human brain. Neuroscientist. 2002 Dec;8(6):562-73. doi: 10.1177/1073858402238515. [PubMed:12467378 ]
  18. Pearl PL, Hartka TR, Cabalza JL, Taylor J, Gibson MK: Inherited disorders of GABA metabolism. Future Neurol. 2006 Sep;1(5):631-636. doi: 10.2217/14796708.1.5.631. [PubMed:23842532 ]
  19. Mezzelani A, Landini M, Facchiano F, Raggi ME, Villa L, Molteni M, De Santis B, Brera C, Caroli AM, Milanesi L, Marabotti A: Environment, dysbiosis, immunity and sex-specific susceptibility: a translational hypothesis for regressive autism pathogenesis. Nutr Neurosci. 2015 May;18(4):145-61. doi: 10.1179/1476830513Y.0000000108. Epub 2014 Jan 21. [PubMed:24621061 ]
  20. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Only showing the first 10 proteins. There are 38 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. 4-aminobutyrate aminotransferase, mitochondrial
General function:
Involved in 4-aminobutyrate transaminase activity
Specific function:
Catalyzes the conversion of gamma-aminobutyrate and L-beta-aminoisobutyrate to succinate semialdehyde and methylmalonate semialdehyde, respectively. Can also convert delta-aminovalerate and beta-alanine.
Gene Name:
ABAT
Uniprot ID:
P80404
Molecular weight:
56438.405
Reactions
gamma-Aminobutyric acid + Oxoglutaric acid → Succinic acid semialdehyde + L-Glutamic aciddetails
Enzyme Details
2. 4-trimethylaminobutyraldehyde dehydrogenase
General function:
Involved in oxidoreductase activity
Specific function:
Converts gamma-trimethylaminobutyraldehyde into gamma-butyrobetaine. Catalyzes the irreversible oxidation of a broad range of aldehydes to the corresponding acids in an NAD-dependent reaction.
Gene Name:
ALDH9A1
Uniprot ID:
P49189
Molecular weight:
56291.485
Reactions
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADHdetails
4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Iondetails
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Iondetails
Enzyme Details
3. Alpha-aminoadipic semialdehyde dehydrogenase
General function:
Involved in oxidoreductase activity
Specific function:
Multifunctional enzyme mediating important protective effects. Metabolizes betaine aldehyde to betaine, an important cellular osmolyte and methyl donor. Protects cells from oxidative stress by metabolizing a number of lipid peroxidation-derived aldehydes. Involved in lysine catabolism.
Gene Name:
ALDH7A1
Uniprot ID:
P49419
Molecular weight:
58486.74
Reactions
4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Iondetails
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Iondetails
Enzyme Details
4. Aldehyde dehydrogenase family 1 member A3
General function:
Involved in oxidoreductase activity
Specific function:
Recognizes as substrates free retinal and cellular retinol-binding protein-bound retinal. Seems to be the key enzyme in the formation of an RA gradient along the dorso-ventral axis during the early eye development and also in the development of the olfactory system (By similarity).
Gene Name:
ALDH1A3
Uniprot ID:
P47895
Molecular weight:
56107.995
Enzyme Details
5. Aldehyde dehydrogenase, mitochondrial
General function:
Involved in oxidoreductase activity
Specific function:
Not Available
Gene Name:
ALDH2
Uniprot ID:
P05091
Molecular weight:
56380.93
Reactions
4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Iondetails
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Iondetails
Enzyme Details
6. Fatty aldehyde dehydrogenase
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the oxidation of long-chain aliphatic aldehydes to fatty acids. Active on a variety of saturated and unsaturated aliphatic aldehydes between 6 and 24 carbons in length. Responsible for conversion of the sphingosine 1-phosphate (S1P) degradation product hexadecenal to hexadecenoic acid.
Gene Name:
ALDH3A2
Uniprot ID:
P51648
Molecular weight:
54847.36
Reactions
4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Iondetails
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Iondetails
Enzyme Details
7. Aldehyde dehydrogenase X, mitochondrial
General function:
Involved in oxidoreductase activity
Specific function:
ALDHs play a major role in the detoxification of alcohol-derived acetaldehyde. They are involved in the metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation.
Gene Name:
ALDH1B1
Uniprot ID:
P30837
Molecular weight:
57248.96
Reactions
4-Aminobutyraldehyde + NADP + Water → gamma-Aminobutyric acid + NADPH + Hydrogen Iondetails
4-Aminobutyraldehyde + NAD + Water → gamma-Aminobutyric acid + NADH + Hydrogen Iondetails
Enzyme Details
8. Glycine amidinotransferase, mitochondrial
General function:
Amino acid transport and metabolism
Specific function:
Catalyzes the biosynthesis of guanidinoacetate, the immediate precursor of creatine. Creatine plays a vital role in energy metabolism in muscle tissues. May play a role in embryonic and central nervous system development. May be involved in the response to heart failure by elevating local creatine synthesis.
Gene Name:
GATM
Uniprot ID:
P50440
Molecular weight:
48455.01
Reactions
L-Arginine + gamma-Aminobutyric acid → Ornithine + 4-Guanidinobutanoic aciddetails
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Enzyme Details
9. Glutamine synthetase
General function:
Involved in glutamate-ammonia ligase activity
Specific function:
This enzyme has 2 functions: it catalyzes the production of glutamine and 4-aminobutanoate (gamma-aminobutyric acid, GABA), the latter in a pyridoxal phosphate-independent manner (By similarity). Essential for proliferation of fetal skin fibroblasts.
Gene Name:
GLUL
Uniprot ID:
P15104
Molecular weight:
42064.15
Reactions
L-Glutamic acid → gamma-Aminobutyric acid + CO(2)details
Enzyme Details
10. Glutamate decarboxylase 2
General function:
Involved in carboxy-lyase activity
Specific function:
Catalyzes the production of GABA.
Gene Name:
GAD2
Uniprot ID:
Q05329
Molecular weight:
65410.77
Reactions
L-Glutamic acid → gamma-Aminobutyric acid + CO(2)details
L-Glutamic acid → gamma-Aminobutyric acid + Carbon dioxidedetails

Only showing the first 10 proteins. There are 38 proteins in total.

Show all enzymes and transporters