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Showing metabocard for L-Aspartic acid (HMDB0000191)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (31)transporters (1) Show 32 proteinsXML
enzymes (31)transporters (1) Show 32 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:20:01 UTC
HMDB IDHMDB0000191
Secondary Accession Numbers
  • HMDB00191
Metabolite Identification
Common NameL-Aspartic acid
DescriptionAspartic acid (Asp), also known as L-aspartic acid or as aspartate, the name of its anion, is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Amino acids are organic compounds that contain amino (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. L-aspartic acid is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Aspartic acid is found in all organisms ranging from bacteria to plants to animals. It is classified as an acidic, charged (at physiological pH), aliphatic amino acid. In humans, aspartic acid is a nonessential amino acid derived from glutamic acid by enzymes using vitamin B6. However, in the human body, aspartate is most frequently synthesized through the transamination of oxaloacetate. A non-essential amino acid is an amino acid that can be synthesized from central metabolic pathway intermediates in humans and is not required in the diet. As its name indicates, aspartic acid is the carboxylic acid analog of asparagine. The D-isomer of aspartic acid (D-aspartic acid) is one of two D-amino acids commonly found in mammals. Aspartic acid was first discovered in 1827 by Auguste-Arthur Plisson and Étienne Ossian Henry by hydrolysis of asparagine, which had been isolated from asparagus juice in 1806. Aspartate has many biochemical roles. It is a neurotransmitter, a metabolite in the urea cycle and it participates in gluconeogenesis. It carries reducing equivalents in the malate-aspartate shuttle, which utilizes the ready interconversion of aspartate and oxaloacetate, which is the oxidized (dehydrogenated) derivative of malic acid. Aspartate donates one nitrogen atom in the biosynthesis of inosine, the precursor to the purine bases which are key to DNA biosynthesis. In addition, aspartic acid acts as a hydrogen acceptor in a chain of ATP synthase. Aspartic acid is a major excitatory neurotransmitter, which is sometimes found to be increased in epileptic and stroke patients. It is decreased in depressed patients and in patients with brain atrophy. As a neurotransmitter, aspartic acid may provide resistance to fatigue and thus lead to endurance, although the evidence to support this idea is not strong (Wikipedia ). Aspartic acid supplements are being evaluated. Five grams can raise blood levels. Magnesium and zinc may be natural inhibitors of some of the actions of aspartic acid. Aspartic acid, when chemically coupled with the amino acid D-phenylalanine, is a part of a natural sweetener, aspartame. This sweetener is an advance in artificial sweeteners, and is probably safe in normal doses to all except phenylketonurics. Aspartic acid may be a significant immunostimulant of the thymus and can protect against some of the damaging effects of radiation. Aspartic acid is found in higher abundance in: oysters, luncheon meats, sausage meat, wild game, sprouting seeds, oat flakes, avocado, asparagus, young sugarcane, and molasses from sugar beets.
Structure
Data?1582752115
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000191 (L-Aspartic acid)


  Mrv1652309272007262D          

  9  8  0  0  1  0            999 V2000
    5.6663   -0.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0936    0.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517    1.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8081   -0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2372   -0.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2372   -0.0783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5227    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8081   -0.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000191 (L-Aspartic acid)

HMDB0000191
     RDKit          3D
L-Aspartic acid
 16 15  0  0  0  0  0  0  0  0999 V2000
   -1.6431   -0.6988   -0.8319 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657   -0.5079    0.1719 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6894   -0.2643   -0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079   -0.0741    0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963   -0.1598    1.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703    0.2332   -0.5375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    0.6657    1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2050    0.9945    1.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    1.4377    0.7519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077   -1.1935   -1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4299   -1.2427   -0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200   -1.4114    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707   -1.1355   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850    0.6269   -1.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9845    0.9085   -1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5587    1.8215    1.5393 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  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  1
  3 13  1  0
  3 14  1  0
  6 15  1  0
  9 16  1  0
M  END
Download

3D SDF for HMDB0000191 (L-Aspartic acid)


  Mrv1652309272007262D          

  9  8  0  0  1  0            999 V2000
    5.6663   -0.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0936    0.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517    1.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8081   -0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2372   -0.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2372   -0.0783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5227    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9517    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8081   -0.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000191

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

> <INCHI_KEY>
CKLJMWTZIZZHCS-REOHCLBHSA-N

> <FORMULA>
C4H7NO4

> <MOLECULAR_WEIGHT>
133.1027

> <EXACT_MASS>
133.037507717

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.284232994750797

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-aminobutanedioic acid

> <ALOGPS_LOGP>
-3.52

> <JCHEM_LOGP>
-3.5037527551764525

> <ALOGPS_LOGS>
0.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
5.113750094894903

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7025435921010494

> <JCHEM_PKA_STRONGEST_BASIC>
9.614153755159162

> <JCHEM_POLAR_SURFACE_AREA>
100.61999999999999

> <JCHEM_REFRACTIVITY>
26.5327

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.42e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-aspartic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000191 (L-Aspartic acid)

HMDB0000191
     RDKit          3D
L-Aspartic acid
 16 15  0  0  0  0  0  0  0  0999 V2000
   -1.6431   -0.6988   -0.8319 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657   -0.5079    0.1719 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6894   -0.2643   -0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079   -0.0741    0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963   -0.1598    1.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703    0.2332   -0.5375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207    0.6657    1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2050    0.9945    1.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    1.4377    0.7519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2077   -1.1935   -1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4299   -1.2427   -0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200   -1.4114    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8707   -1.1355   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850    0.6269   -1.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9845    0.9085   -1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5587    1.8215    1.5393 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  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  1
  3 13  1  0
  3 14  1  0
  6 15  1  0
  9 16  1  0
M  END
Download

PDB for HMDB0000191 (L-Aspartic 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  O   UNK     0      10.577  -0.146   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       3.908   0.624   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       9.243   2.164   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       5.242  -1.686   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0       7.909  -1.686   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       7.909  -0.146   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.576   0.624   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.243   0.624   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.242  -0.146   0.000  0.00  0.00           C+0
CONECT    1    8                                                            
CONECT    2    9                                                            
CONECT    3    8                                                            
CONECT    4    9                                                            
CONECT    5    6                                                            
CONECT    6    5    7    8                                                  
CONECT    7    6    9                                                       
CONECT    8    1    3    6                                                  
CONECT    9    2    4    7                                                  
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for HMDB0000191 (L-Aspartic acid)

COMPND    HMDB0000191
HETATM    1  N1  UNL     1      -1.643  -0.699  -0.832  1.00  0.00           N  
HETATM    2  C1  UNL     1      -0.566  -0.508   0.172  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.689  -0.264  -0.598  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.908  -0.074   0.197  1.00  0.00           C  
HETATM    5  O1  UNL     1       1.996  -0.160   1.438  1.00  0.00           O  
HETATM    6  O2  UNL     1       3.070   0.233  -0.537  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.921   0.666   1.006  1.00  0.00           C  
HETATM    8  O3  UNL     1      -0.205   0.995   1.967  1.00  0.00           O  
HETATM    9  O4  UNL     1      -2.053   1.438   0.752  1.00  0.00           O  
HETATM   10  H1  UNL     1      -1.208  -1.194  -1.619  1.00  0.00           H  
HETATM   11  H2  UNL     1      -2.430  -1.243  -0.409  1.00  0.00           H  
HETATM   12  H3  UNL     1      -0.520  -1.411   0.789  1.00  0.00           H  
HETATM   13  H4  UNL     1       0.871  -1.136  -1.274  1.00  0.00           H  
HETATM   14  H5  UNL     1       0.585   0.627  -1.284  1.00  0.00           H  
HETATM   15  H6  UNL     1       2.984   0.909  -1.307  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.559   1.821   1.539  1.00  0.00           H  
CONECT    1    2   10   11
CONECT    2    3    7   12
CONECT    3    4   13   14
CONECT    4    5    5    6
CONECT    6   15
CONECT    7    8    8    9
CONECT    9   16
END
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SMILES for HMDB0000191 (L-Aspartic acid)

N[C@@H](CC(O)=O)C(O)=O
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INCHI for HMDB0000191 (L-Aspartic acid)

InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(S)-2-Aminobutanedioic acidChEBI
(S)-2-Aminosuccinic acidChEBI
2-Aminosuccinic acidChEBI
AspChEBI
ASPARTIC ACIDChEBI
DChEBI
L-AsparaginsaeureChEBI
L-AspKegg
(S)-2-AminobutanedioateGenerator
(S)-2-AminosuccinateGenerator
2-AminosuccinateGenerator
ASPARTateGenerator
L-AspartateGenerator
(+)-AspartateHMDB
(+)-Aspartic acidHMDB
(2S)-AspartateHMDB
(2S)-Aspartic acidHMDB
(L)-AspartateHMDB
(L)-Aspartic acidHMDB
(R)-2-AminosuccinateHMDB
(S)-(+)-AspartateHMDB
(S)-(+)-Aspartic acidHMDB
(S)-Amino-butanedioateHMDB
(S)-Amino-butanedioic acidHMDB
(S)-AminobutanedioateHMDB
(S)-Aminobutanedioic acidHMDB
(S)-AspartateHMDB
(S)-Aspartic acidHMDB
2-Amino-3-methylsuccinateHMDB
2-Amino-3-methylsuccinic acidHMDB
alpha-AminosuccinateHMDB
alpha-Aminosuccinic acidHMDB
AminosuccinateHMDB
AsparagateHMDB
Asparagic acidHMDB
AsparaginateHMDB
Asparaginic acidHMDB
AsparatateHMDB
H-Asp-OHHMDB
L-(+)-AspartateHMDB
L-(+)-Aspartic acidHMDB
L-AminosuccinateHMDB
L-Aminosuccinic acidHMDB
L-AsparagateHMDB
L-Asparagic acidHMDB
L-AsparaginateHMDB
L-Asparaginic acidHMDB
(+-)-Aspartic acidHMDB
(R,S)-Aspartic acidHMDB
Aspartate, disodiumHMDB
Aspartate, magnesiumHMDB
Aspartate, monopotassiumHMDB
Aspartic acid, dipotassium saltHMDB
Aspartic acid, hydrobromideHMDB
Aspartic acid, monopotassium saltHMDB
Aspartic acid, monosodium saltHMDB
Aspartic acid, potassium saltHMDB
L AspartateHMDB
MG5LongoralHMDB
Potassium aspartateHMDB
PolysuccinimideHMDB
Ammonium aspartateHMDB
Aspartate, ammoniumHMDB
Aspartate, calciumHMDB
Aspartate, monosodiumHMDB
Aspartic acid, calcium saltHMDB
Aspartic acid, disodium saltHMDB
Aspartic acid, magnesium (1:1) salt, hydrochloride, trihydrateHMDB
Dipotassium aspartateHMDB
Disodium aspartateHMDB
Hydrochloride, aspartate magnesiumHMDB
Monopotassium aspartateHMDB
Sodium aspartateHMDB
Aspartate, dipotassiumHMDB
Aspartic acid, magnesium (2:1) saltHMDB
Aspartic acid, sodium saltHMDB
Hydrobromide aspartic acidHMDB
Magnesium aspartateHMDB
MG 5 LongoralHMDB
Monosodium aspartateHMDB
Aspartate magnesium hydrochlorideHMDB
Aspartate, potassiumHMDB
Aspartate, sodiumHMDB
Aspartic acid, ammonium saltHMDB
Aspartic acid, hydrochlorideHMDB
Aspartic acid, magnesium-potassium (2:1:2) saltHMDB
Calcium aspartateHMDB
Hydrochloride aspartic acidHMDB
L Aspartic acidHMDB
MagnesiocardHMDB
MG-5-LongoralHMDB
Poly-DL-succinimideHMDB
Chemical FormulaC4H7NO4
Average Molecular Weight133.1027
Monoisotopic Molecular Weight133.037507717
IUPAC Name(2S)-2-aminobutanedioic acid
Traditional NameL-aspartic acid
CAS Registry Number56-84-8
SMILES
N[C@@H](CC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChI KeyCKLJMWTZIZZHCS-REOHCLBHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAspartic acid and derivatives
Alternative Parents
Substituents
  • Aspartic acid or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point270 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility5.39 mg/mLYALKOWSKY,SH & DANNENFELSER,RM (1992)
LogP-3.89CHMELIK,J ET AL. (1991)
Experimental Spectral Properties

Experimental Collision Cross Sections

PredictorAdduct TypeData SourceCCS Value (Å2)Reference
DeepCCS[M-H]-Astarita_neg118.730932474
DeepCCS[M-H]-Baker120.7130932474
DeepCCS[M-H]-McLean120.72330932474
DeepCCS[M+H]+Astarita_pos122.030932474
AllCCS[M-H]-Not Available121.92http://allccs.zhulab.cn/database/detail?ID=AllCCS00001749
Predicted Molecular Properties
PropertyValueSource
Water Solubility142 g/LALOGPS
logP10(-3.5) g/LALOGPS
logP10(-3.5) g/LChemAxon
logS10(0.03) g/LALOGPS
pKa (Strongest Acidic)1.7ChemAxon
pKa (Strongest Basic)9.61ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area100.62 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity26.53 m³·mol⁻¹ChemAxon
Polarizability11.28 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+129.77931661259
DarkChem[M-H]-121.84631661259
AllCCS[M+H]+131.66532859911
AllCCS[M-H]-122.78532859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Aspartic acid,1TMS,#1C[Si](C)(C)OC(=O)C[C@H](N)C(=O)O1393.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,1TMS,#2C[Si](C)(C)OC(=O)[C@@H](N)CC(=O)O1347.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,1TMS,#3C[Si](C)(C)N[C@@H](CC(=O)O)C(=O)O1412.7Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,2TMS,#1C[Si](C)(C)OC(=O)C[C@H](N)C(=O)O[Si](C)(C)C1413.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,2TMS,#2C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O1504.6Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,2TMS,#3C[Si](C)(C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C1457.1Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,2TMS,#4C[Si](C)(C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C1619.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,1TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)C(=O)O1626.3Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,1TBDMS,#2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC(=O)O1598.8Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,1TBDMS,#3CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)C(=O)O1672.0Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,2TBDMS,#1CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C1857.9Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,2TBDMS,#2CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O1937.4Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,2TBDMS,#3CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C1898.5Semi standard non polarhttps://arxiv.org/abs/1905.12712
L-Aspartic acid,2TBDMS,#4CC(C)(C)[Si](C)(C)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2057.2Semi standard non polarhttps://arxiv.org/abs/1905.12712
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0f89-0960000000-5a6a6cb21e9fc0875f842014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0f89-0950000000-51399a8446c3944597652014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0f89-0950000000-f07e7f52b3c31fd119f52014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-0f89-0950000000-9e175dfa17a8b17a72d22014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-0f89-0950000000-f4475587d5a3b20bfc582014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00di-9430000000-0cac9a97e698db1672b52014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-MS (2 TMS)splash10-03yi-1900000000-ea61b8526ee02ae79b662014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-MS (3 TMS)splash10-0f89-1890000000-7da576c8129142b71a1b2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-MS (4 TMS)splash10-0pb9-0981000000-ad23d55e348f55115f002014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid EI-B (Non-derivatized)splash10-001i-0590000000-13cc5a7841854e97f68b2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized)splash10-0f89-0960000000-5a6a6cb21e9fc0875f842017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized)splash10-0f89-0950000000-51399a8446c3944597652017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized)splash10-0f89-0950000000-f07e7f52b3c31fd119f52017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized)splash10-0f89-0950000000-9e175dfa17a8b17a72d22017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized)splash10-0f89-0950000000-f4475587d5a3b20bfc582017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-QQ (Non-derivatized)splash10-0g4i-6946100000-0ae49e3be0f2f1f920652017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-EI-TOF (Non-derivatized)splash10-00di-9430000000-0cac9a97e698db1672b52017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized)splash10-03yi-1900000000-ea61b8526ee02ae79b662017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized)splash10-0f89-1890000000-7da576c8129142b71a1b2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized)splash10-0pb9-0981000000-ad23d55e348f55115f002017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-000f-9100000000-b7db3377089f4c95001b2016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Aspartic acid GC-MS (2 TMS) - 70eV, Positivesplash10-01w4-9610000000-0f1463c6395830708e122017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Aspartic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0079-9300000000-92f9914d94078d96f5cf2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00di-9000000000-c467d10f2b7e21ed17342012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-00dl-9000000000-87f0c58226f5a2f3ac8a2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-00di-0900000000-fde7ef1951fddff4b8172012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0uk9-8900000000-2d7e5609618437e592722012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-000i-9000000000-4b43567f4a446aed08282012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-014i-4900000000-45382d9abd25be948e5b2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-001i-0900000000-3f39a9b758e282358ac02012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-014i-3900000000-44d361ad09ff9a30dd142012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-000i-9000000000-18e1dba62e6b803e17b82012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0002-0930000000-d97f9518a2d516d830c52012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-02ai-0962100000-909bb894b2c1318afee42012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-00di-9000000000-f2059dd438fcf62f62e12012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-03dr-7900000000-8b7b89ed34530e3310242012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-014i-0190000000-58a78949f4b93de22aab2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-001i-0921000000-214b6b969fdc4216ca712012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-03dr-6900000000-4918748927dd097d28792012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-001i-0900000000-88dc2f1093f261e762012012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-004i-0290000000-a8856f56645a2961baac2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOFsplash10-001i-0900000000-8cf9870557ca9adc33742012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOFsplash10-000i-9400000000-81b2804a712625a2d9c42012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOFsplash10-000i-9000000000-9bf77ba12ad952f84ac02012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOFsplash10-00di-9000000000-e08bfb96c5fd8c9b9db72012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOFsplash10-0006-9000000000-876e30f6c9ed061091fe2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Aspartic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-00dl-9000000000-6c0d44d4e3853e5701a32012-08-31HMDB team, MONAView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
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 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 2D NMR[1H, 1H]-TOCSY 2D NMR Spectrum (experimental)2012-12-04Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 400 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
Biospecimen Locations
  • Blood
  • Breast Milk
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Sweat
  • Urine
Tissue Locations
  • All Tissues
  • Placenta
  • Prostate
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified21.0 +/- 5.0 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified20.0 +/- 5.0 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified15.5 (tr-32.1) uMInfant (0-1 year old)Not Specified
Normal		 details
BloodDetected and Quantified6.26 +/- 2.34 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified8.00-20.0 uMAdult (>18 years old)Both
Normal		 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified54.4(47.3-68.3) uMChildren (1-13 uears old)Both
Normal		 details
BloodDetected and Quantified20.9 +/- 6.1 uMAdult (>18 years old)BothNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
Breast MilkDetected and Quantified52.9 +/- 33.6 uMAdult (>18 years old)Female
Normal		 details
Cerebrospinal Fluid (CSF)Detected and Quantified2.30 (0.0-4.6) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified2.8 +/- 1.2 uMAdult (>18 years old)MaleNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified1.8 +/- 0.2 uMAdult (>18 years old)FemaleNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.6 +/- 0.3 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.6 +/- 0.3 uMAdult (>18 years old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.9 +/- 0.5 uMInfant (0-1 year old)Not Specified
Normal		 details
Cerebrospinal Fluid (CSF)Detected and Quantified2.19 +/- 2.63 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.23 +/- 0.18 uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
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)Not 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 QuantifiedChildren (6 - 18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified90 +/- 90 nmol/g wet fecesAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified130 +/- 120 nmol/g wet fecesAdult (>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)BothNormal 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
SalivaDetected and Quantified6.54 +/- 2.35 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified18.2 +/- 14.6 uMAdult (>18 years old)Male
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified2.6 +/- 3.6 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified1.5 +/- 2.1 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified<0.25 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified>10 uMAdult (>18 years old)BothNormal details
SalivaDetected and Quantified33.30 +/- 19.39 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
SalivaDetected and Quantified<0.25 uMAdult (>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)BothNormal 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 and Quantified13.83 +/- 5.06 uMAdult (>18 years old)FemaleNormal details
SweatDetected and Quantified< 10 uMAdult (60 years old)Male
Normal		 details
SweatDetected and Quantified< 10 uMAdult (40 years old)Male
Normal		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified5.57-34.61 umol/mmol creatinineNewborn (0-30 days old)BothNormal
    • López Hernández Y...
 details
UrineDetected and Quantified16.85 +/- 7.16 umol/mmol creatinineNewborn (0-30 days old)FemaleNormal
    • López Hernández Y...
 details
UrineDetected and Quantified16.88 +/- 7.25 umol/mmol creatinineNewborn (0-30 days old)MaleNormal
    • López Hernández Y...
 details
UrineDetected and Quantified0.43-0.82 umol/mmol creatinineAdult (>18 years old)FemaleNormal details
UrineDetected and Quantified1.36 +/- 1.06 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected and Quantified25.11 (20-30.22) umol/mmol creatinineNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified10.9 (3.5-21.8) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified16.115 +/- 7.486 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Mordechai, Hien, ...
 details
UrineDetected and Quantified5.2 +/- 6.15 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.4 +/- 0.2 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified0.44-0.68 umol/mmol creatinineAdult (>18 years old)MaleNormal details
UrineDetected and Quantified0.5 +/-0.4 umol/mmol creatinineInfant (1 - 6 months old)Both
Normal		 details
UrineDetected and Quantified0.6 +/- 0.3 umol/mmol creatinineInfant (6 months - <1 year old)Both
Normal		 details
UrineDetected and Quantified10.9 (1.9-26.8) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified0.5 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified51.1451 +/- 42.3486 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Mordechai, Hien, ...
 details
UrineDetected and Quantified4.638 (1.711-7.566) umol/mmol creatinineAdult (>18 years old)BothNormal
      Not Available
 details
UrineDetected and Quantified16.62 +/- 12.44 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified18.20 +/- 13.57 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified18.20 +/- 18.09 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified36.0 +/- 9.0 uMAdult (>18 years old)BothCirrhosis details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
BloodDetected and Quantified3.9 (3.7-4.1) uMAdult (>18 years old)Both
Epilepsy		 details
BloodDetected and Quantified11.8 (10.9-12.7) uMAdult (>18 years old)Both
Epilepsy		 details
BloodDetected and Quantified2.6 (tr-5.0) uMInfant (0-1 year old)MaleDicarboxylic Aminoaciduria details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
BloodDetected and Quantified56.7(42.3-70.3) uMChildren (1-13 uears old)Both
Environmental enteric dysfunction		 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Schizophrenia		 details
BloodDetected and Quantified12.67 +/- 2.86 uMElderly (>65 years old)BothAlzheimer's disease details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Schizophrenia		 details
Cerebrospinal Fluid (CSF)Detected and Quantified0.233 +/- 0.081 uMAdult (>18 years old)Not SpecifiedGrowth hormone deficiency details
Cerebrospinal Fluid (CSF)Detected and Quantifiedtrace uMInfant (0-1 year old)MaleDicarboxylic Aminoaciduria details
Cerebrospinal Fluid (CSF)Detected and Quantified0.24 +/- 0.10 uMAdult (>18 years old)BothSchizophrenia details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleGout details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable bowel syndrome		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Ulcerative colitis		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothImmunoglobulin A nephropathy (IgAN) progressor details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 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 QuantifiedChildren (6 - 18 years old)BothCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)BothUlcerative colitis 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 QuantifiedAdult (>18 years old)BothColorectal cancer details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUnclassified IBD details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothUlcerative colitis 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
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleAttachment loss  details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleMissing teeth details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MalePeriodontal Probing Depth details
SalivaDetected and Quantified9.62 +/- 6.59 uMAdult (>18 years old)MaleAlzheimer's disease details
SalivaDetected and Quantified11.32 +/- 3.39 uMAdult (>18 years old)MaleFrontotemporal lobe dementia details
SalivaDetected and Quantified13.36 +/- 3.74 uMAdult (>18 years old)BothLewy body disease 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
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
UrineDetected and Quantified24.087 +/- 22.064 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Mordechai, Hien, ...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
UrineDetected and Quantified29.311 +/- 17.1956 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Mordechai, Hien, ...
 details
UrineDetected and Quantified28.1856 +/- 25.7291 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Gastroesophageal reflux disease
    • Mordechai, Hien, ...
 details
Associated Disorders and Diseases
Disease References
Epilepsy
  1. Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. [PubMed:14992292 ]
Cirrhosis
  1. Cynober LA: Plasma amino acid levels with a note on membrane transport: characteristics, regulation, and metabolic significance. Nutrition. 2002 Sep;18(9):761-6. [PubMed:12297216 ]
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 ]
Dicarboxylic aminoaciduria
  1. Melancon SB, Dallaire L, Lemieux B, Robitaille P, Potier M: Dicarboxylic aminoaciduria: an inborn error of amino acid conservation. J Pediatr. 1977 Sep;91(3):422-7. [PubMed:894411 ]
Growth hormone deficiency
  1. Burman P, Hetta J, Wide L, Mansson JE, Ekman R, Karlsson FA: Growth hormone treatment affects brain neurotransmitters and thyroxine [see comment]. Clin Endocrinol (Oxf). 1996 Mar;44(3):319-24. [PubMed:8729530 ]
Schizophrenia
  1. Do KQ, Lauer CJ, Schreiber W, Zollinger M, Gutteck-Amsler U, Cuenod M, Holsboer F: gamma-Glutamylglutamine and taurine concentrations are decreased in the cerebrospinal fluid of drug-naive patients with schizophrenic disorders. J Neurochem. 1995 Dec;65(6):2652-62. [PubMed:7595563 ]
  2. Xuan J, Pan G, Qiu Y, Yang L, Su M, Liu Y, Chen J, Feng G, Fang Y, Jia W, Xing Q, He L: Metabolomic profiling to identify potential serum biomarkers for schizophrenia and risperidone action. J Proteome Res. 2011 Dec 2;10(12):5433-43. doi: 10.1021/pr2006796. Epub 2011 Nov 8. [PubMed:22007635 ]
  3. Yang J, Chen T, Sun L, Zhao Z, Qi X, Zhou K, Cao Y, Wang X, Qiu Y, Su M, Zhao A, Wang P, Yang P, Wu J, Feng G, He L, Jia W, Wan C: Potential metabolite markers of schizophrenia. Mol Psychiatry. 2013 Jan;18(1):67-78. doi: 10.1038/mp.2011.131. Epub 2011 Oct 25. [PubMed:22024767 ]
Irritable bowel syndrome
  1. Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
Ulcerative colitis
  1. Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
  2. Bjerrum JT, Wang Y, Hao F, Coskun M, Ludwig C, Gunther U, Nielsen OH: Metabonomics of human fecal extracts characterize ulcerative colitis, Crohn's disease and healthy individuals. Metabolomics. 2015;11:122-133. Epub 2014 Jun 1. [PubMed:25598765 ]
  3. 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 ]
Colorectal cancer
  1. Weir TL, Manter DK, Sheflin AM, Barnett BA, Heuberger AL, Ryan EP: Stool microbiome and metabolome differences between colorectal cancer patients and healthy adults. PLoS One. 2013 Aug 6;8(8):e70803. doi: 10.1371/journal.pone.0070803. Print 2013. [PubMed:23940645 ]
  2. Ritchie SA, Ahiahonu PW, Jayasinghe D, Heath D, Liu J, Lu Y, Jin W, Kavianpour A, Yamazaki Y, Khan AM, Hossain M, Su-Myat KK, Wood PL, Krenitsky K, Takemasa I, Miyake M, Sekimoto M, Monden M, Matsubara H, Nomura F, Goodenowe DB: Reduced levels of hydroxylated, polyunsaturated ultra long-chain fatty acids in the serum of colorectal cancer patients: implications for early screening and detection. BMC Med. 2010 Feb 15;8:13. doi: 10.1186/1741-7015-8-13. [PubMed:20156336 ]
  3. Ni Y, Xie G, Jia W: Metabonomics of human colorectal cancer: new approaches for early diagnosis and biomarker discovery. J Proteome Res. 2014 Sep 5;13(9):3857-70. doi: 10.1021/pr500443c. Epub 2014 Aug 14. [PubMed:25105552 ]
  4. 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 ]
  5. 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 ]
  6. 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 ]
  7. Wang X, Wang J, Rao B, Deng L: Gut flora profiling and fecal metabolite composition of colorectal cancer patients and healthy individuals. Exp Ther Med. 2017 Jun;13(6):2848-2854. doi: 10.3892/etm.2017.4367. Epub 2017 Apr 20. [PubMed:28587349 ]
Crohn's disease
  1. Bjerrum JT, Wang Y, Hao F, Coskun M, Ludwig C, Gunther U, Nielsen OH: Metabonomics of human fecal extracts characterize ulcerative colitis, Crohn's disease and healthy individuals. Metabolomics. 2015;11:122-133. Epub 2014 Jun 1. [PubMed:25598765 ]
  2. 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 ]
Gout
  1. Shao T, Shao L, Li H, Xie Z, He Z, Wen C: Combined Signature of the Fecal Microbiome and Metabolome in Patients with Gout. Front Microbiol. 2017 Feb 21;8:268. doi: 10.3389/fmicb.2017.00268. eCollection 2017. [PubMed:28270806 ]
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 ]
Attachment loss
  1. Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Missing teeth
  1. Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Periodontal Probing Depth
  1. Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Eosinophilic esophagitis
  1. (). Mordechai, Hien, and David S. Wishart. .
Associated OMIM IDs
DrugBank IDDB00128
Phenol Explorer Compound IDNot Available
FooDB IDFDB012567
KNApSAcK IDC00001342
Chemspider ID5745
KEGG Compound IDC00049
BioCyc IDL-ASPARTATE
BiGG ID33663
Wikipedia LinkAspartic acid
METLIN ID5206
PubChem Compound5960
PDB IDNot Available
ChEBI ID17053
Food Biomarker OntologyNot Available
VMH IDASP_L
MarkerDB IDMDB00000091
Good Scents IDNot Available
References
Synthesis ReferencePamfil, Maria; Lupescu, Irina; Savoiu, Valeria Gabriela. L-aspartic acid production from fumarate using Escherichia coli whole cells. Rom. (2005), 3pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  2. 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 ]
  3. Nicholson JK, O'Flynn MP, Sadler PJ, Macleod AF, Juul SM, Sonksen PH: Proton-nuclear-magnetic-resonance studies of serum, plasma and urine from fasting normal and diabetic subjects. Biochem J. 1984 Jan 15;217(2):365-75. [PubMed:6696735 ]
  4. Engelborghs S, Marescau B, De Deyn PP: Amino acids and biogenic amines in cerebrospinal fluid of patients with Parkinson's disease. Neurochem Res. 2003 Aug;28(8):1145-50. [PubMed:12834252 ]
  5. Burman P, Hetta J, Wide L, Mansson JE, Ekman R, Karlsson FA: Growth hormone treatment affects brain neurotransmitters and thyroxine [see comment]. Clin Endocrinol (Oxf). 1996 Mar;44(3):319-24. [PubMed:8729530 ]
  6. Hagenfeldt L, Bjerkenstedt L, Edman G, Sedvall G, Wiesel FA: Amino acids in plasma and CSF and monoamine metabolites in CSF: interrelationship in healthy subjects. J Neurochem. 1984 Mar;42(3):833-7. [PubMed:6198473 ]
  7. Cynober LA: Plasma amino acid levels with a note on membrane transport: characteristics, regulation, and metabolic significance. Nutrition. 2002 Sep;18(9):761-6. [PubMed:12297216 ]
  8. Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. [PubMed:14992292 ]
  9. Chiara F, Goumans MJ, Forsberg H, Ahgren A, Rasola A, Aspenstrom P, Wernstedt C, Hellberg C, Heldin CH, Heuchel R: A gain of function mutation in the activation loop of platelet-derived growth factor beta-receptor deregulates its kinase activity. J Biol Chem. 2004 Oct 8;279(41):42516-27. Epub 2004 Jul 28. [PubMed:15284236 ]
  10. Fujii N: D-amino acid in elderly tissues. Biol Pharm Bull. 2005 Sep;28(9):1585-9. [PubMed:16141520 ]
  11. Grdzelishvili VZ, Smallwood S, Tower D, Hall RL, Hunt DM, Moyer SA: A single amino acid change in the L-polymerase protein of vesicular stomatitis virus completely abolishes viral mRNA cap methylation. J Virol. 2005 Jun;79(12):7327-37. [PubMed:15919887 ]
  12. Lockridge O: Genetic variants of human serum cholinesterase influence metabolism of the muscle relaxant succinylcholine. Pharmacol Ther. 1990;47(1):35-60. [PubMed:2195556 ]
  13. Franklin RB, Zou J, Yu Z, Costello LC: EAAC1 is expressed in rat and human prostate epithelial cells; functions as a high-affinity L-aspartate transporter; and is regulated by prolactin and testosterone. BMC Biochem. 2006 Mar 27;7:10. [PubMed:16566829 ]
  14. Advani SJ, Hagglund R, Weichselbaum RR, Roizman B: Posttranslational processing of infected cell proteins 0 and 4 of herpes simplex virus 1 is sequential and reflects the subcellular compartment in which the proteins localize. J Virol. 2001 Sep;75(17):7904-12. [PubMed:11483735 ]
  15. Wang M, Meng Z, Fu J: Synthesis and biodistribution of six novel 99mTc complexes of 2-hydroxybenzaldehyde-amino acid Schiff bases. Appl Radiat Isot. 2006 Feb;64(2):235-40. [PubMed:16309915 ]
  16. Fisher G, Lopez S, Peterson K, Goff T, Philip I, Gaviria R, Lorenzo N, Tsesarskaia M: Is there a correlation between age and D: -aspartic acid in human knee cartilage? Amino Acids. 2006 Jun 1;. [PubMed:16738792 ]
  17. Baslow MH: Brain N-acetylaspartate as a molecular water pump and its role in the etiology of Canavan disease: a mechanistic explanation. J Mol Neurosci. 2003;21(3):185-90. [PubMed:14645985 ]
  18. Shao B, Belaaouaj A, Verlinde CL, Fu X, Heinecke JW: Methionine sulfoxide and proteolytic cleavage contribute to the inactivation of cathepsin G by hypochlorous acid: an oxidative mechanism for regulation of serine proteinases by myeloperoxidase. J Biol Chem. 2005 Aug 12;280(32):29311-21. Epub 2005 Jun 20. [PubMed:15967795 ]
  19. Rose CH, Thigpen BD, Bofill JA, Cushman J, May WL, Martin JN Jr: Obstetric implications of antepartum corticosteroid therapy for HELLP syndrome. Obstet Gynecol. 2004 Nov;104(5 Pt 1):1011-4. [PubMed:15516393 ]
  20. Bhende PM, Seaman WT, Delecluse HJ, Kenney SC: BZLF1 activation of the methylated form of the BRLF1 immediate-early promoter is regulated by BZLF1 residue 186. J Virol. 2005 Jun;79(12):7338-48. [PubMed:15919888 ]
  21. Butterworth RF: Pathophysiology of hepatic encephalopathy: a new look at ammonia. Metab Brain Dis. 2002 Dec;17(4):221-7. [PubMed:12602499 ]
  22. 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 32 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Aspartate aminotransferase, cytoplasmic
General function:
Involved in transferase activity, transferring nitrogenous groups
Specific function:
Plays a key role in amino acid metabolism (By similarity).
Gene Name:
GOT1
Uniprot ID:
P17174
Molecular weight:
46247.14
Reactions
L-Aspartic acid + Oxoglutaric acid → Oxalacetic acid + L-Glutamic aciddetails
References
  1. Tordjman J, Leroyer S, Chauvet G, Quette J, Chauvet C, Tomkiewicz C, Chapron C, Barouki R, Forest C, Aggerbeck M, Antoine B: Cytosolic aspartate aminotransferase, a new partner in adipocyte glyceroneogenesis and an atypical target of thiazolidinedione. J Biol Chem. 2007 Aug 10;282(32):23591-602. Epub 2007 Jun 1. [PubMed:17545671 ]
  2. Girgin S, Gedik E, Tacyildiz IH, Akgun Y, Bac B, Uysal E: Factors affecting morbidity and mortality in gangrenous cholecystitis. Acta Chir Belg. 2006 Sep-Oct;106(5):545-9. [PubMed:17168267 ]
  3. Guidetti P, Amori L, Sapko MT, Okuno E, Schwarcz R: Mitochondrial aspartate aminotransferase: a third kynurenate-producing enzyme in the mammalian brain. J Neurochem. 2007 Jul;102(1):103-11. Epub 2007 Apr 17. [PubMed:17442055 ]
  4. Wu ZM, Wen T, Tan YF, Liu Y, Ren F, Wu H: Effects of salvianolic acid a on oxidative stress and liver injury induced by carbon tetrachloride in rats. Basic Clin Pharmacol Toxicol. 2007 Feb;100(2):115-20. [PubMed:17244260 ]
  5. Zappacosta B, Manni A, Persichilli S, Boari A, Scribano D, Minucci A, Raffaelli L, Giardina B, De Sole P: Salivary thiols and enzyme markers of cell damage in periodontal disease. Clin Biochem. 2007 Jun;40(9-10):661-5. Epub 2007 Jan 26. [PubMed:17328883 ]
Enzyme Details
2. Aspartate aminotransferase, mitochondrial
General function:
Involved in transferase activity, transferring nitrogenous groups
Specific function:
Catalyzes the irreversible transamination of the L-tryptophan metabolite L-kynurenine to form kynurenic acid (KA). Plays a key role in amino acid metabolism. Important for metabolite exchange between mitochondria and cytosol. Facilitates cellular uptake of long-chain free fatty acids.
Gene Name:
GOT2
Uniprot ID:
P00505
Molecular weight:
47517.285
Reactions
L-Aspartic acid + Oxoglutaric acid → Oxalacetic acid + L-Glutamic 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 ]
  3. Collier RH, Kohlhaw G: Nonidentity of the aspartate and the aromatic aminotransferase components of transaminase A in Escherichia coli. J Bacteriol. 1972 Oct;112(1):365-71. [PubMed:4404056 ]
  4. Grell EH: Genetic analysis of aspartate aminotransferase isozymes from hybrids between Drosophila melanogaster and Drosophila simulans and mutagen-induced isozyme variants. Genetics. 1976 Aug;83(4):753-64. [PubMed:823072 ]
  5. Recasens M, Mandel P: Similarities between cysteinesulphinate transaminase and aspartate aminotransferase. Ciba Found Symp. 1979;(72):259-70. [PubMed:261660 ]
  6. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
3. Ribonuclease pancreatic
General function:
Involved in nucleic acid binding
Specific function:
Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single stranded and double stranded RNA
Gene Name:
RNASE1
Uniprot ID:
P07998
Molecular weight:
17644.1
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
4. Aminoacylase-1
General function:
Involved in metallopeptidase activity
Specific function:
Involved in the hydrolysis of N-acylated or N-acetylated amino acids (except L-aspartate).
Gene Name:
ACY1
Uniprot ID:
Q03154
Molecular weight:
45884.705
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 ]
  3. Mitta M, Ohnogi H, Yamamoto A, Kato I, Sakiyama F, Tsunasawa S: The primary structure of porcine aminoacylase 1 deduced from cDNA sequence. J Biochem. 1992 Dec;112(6):737-42. [PubMed:1284246 ]
Enzyme Details
5. Aspartoacylase
General function:
Involved in hydrolase activity, acting on ester bonds
Specific function:
Catalyzes the deacetylation of N-acetylaspartic acid (NAA) to produce acetate and L-aspartate. NAA occurs in high concentration in brain and its hydrolysis NAA plays a significant part in the maintenance of intact white matter. In other tissues it act as a scavenger of NAA from body fluids.
Gene Name:
ASPA
Uniprot ID:
P45381
Molecular weight:
35734.79
Reactions
N-acyl-L-aspartate + Water → a carboxylate + L-Aspartic aciddetails
N-Acetyl-L-aspartic acid + Water → Acetic acid + L-Aspartic aciddetails
N-Formyl-L-aspartate + Water → Formic acid + L-Aspartic aciddetails
References
  1. Wang J, Matalon R, Bhatia G, Wu G, Li H, Liu T, Lu ZH, Ledeen RW: Bimodal occurrence of aspartoacylase in myelin and cytosol of brain. J Neurochem. 2007 Apr;101(2):448-57. Epub 2007 Jan 24. [PubMed:17254025 ]
  2. Bitto E, Bingman CA, Wesenberg GE, McCoy JG, Phillips GN Jr: Structure of aspartoacylase, the brain enzyme impaired in Canavan disease. Proc Natl Acad Sci U S A. 2007 Jan 9;104(2):456-61. Epub 2006 Dec 28. [PubMed:17194761 ]
  3. Janson CG, McPhee SW, Francis J, Shera D, Assadi M, Freese A, Hurh P, Haselgrove J, Wang DJ, Bilaniuk L, Leone P: Natural history of Canavan disease revealed by proton magnetic resonance spectroscopy (1H-MRS) and diffusion-weighted MRI. Neuropediatrics. 2006 Aug;37(4):209-21. [PubMed:17177147 ]
  4. Srikanth SG, Chandrashekar HS, Nagarajan K, Jayakumar PN: Restricted diffusion in Canavan disease. Childs Nerv Syst. 2007 Apr;23(4):465-8. Epub 2007 Jan 12. [PubMed:17219235 ]
  5. Moffett JR, Ross B, Arun P, Madhavarao CN, Namboodiri AM: N-Acetylaspartate in the CNS: from neurodiagnostics to neurobiology. Prog Neurobiol. 2007 Feb;81(2):89-131. Epub 2007 Jan 5. [PubMed:17275978 ]
Enzyme Details
6. Aspartoacylase-2
General function:
Involved in hydrolase activity, acting on ester bonds
Specific function:
Plays an important role in deacetylating mercapturic acids in kidney proximal tubules (By similarity).
Gene Name:
ACY3
Uniprot ID:
Q96HD9
Molecular weight:
Not Available
Reactions
N-Acetyl-L-aspartic acid + Water → Acetic acid + L-Aspartic aciddetails
N-Formyl-L-aspartate + Water → Formic acid + L-Aspartic 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
7. Asparagine synthetase [glutamine-hydrolyzing]
General function:
Involved in asparagine synthase (glutamine-hydrolyzing) activity
Specific function:
Not Available
Gene Name:
ASNS
Uniprot ID:
P08243
Molecular weight:
62167.855
Reactions
Adenosine triphosphate + L-Aspartic acid + L-Glutamine + Water → Adenosine monophosphate + Pyrophosphate + L-Asparagine + L-Glutamic 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
8. Aspartate--tRNA ligase, cytoplasmic
General function:
Involved in nucleotide binding
Specific function:
Catalyzes the specific attachment of an amino acid to its cognate tRNA in a 2 step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end of the tRNA.
Gene Name:
DARS
Uniprot ID:
P14868
Molecular weight:
57135.8
Reactions
Adenosine triphosphate + L-Aspartic acid + tRNA(Asp) → Adenosine monophosphate + Pyrophosphate + L-aspartyl-tRNA(Asp)details
tRNA(Asp) + L-Aspartic acid + Adenosine triphosphate → L-Aspartyl-tRNA(Asp) + Pyrophosphate + Adenosine monophosphatedetails
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 ]
  3. Eiler S, Dock-Bregeon A, Moulinier L, Thierry JC, Moras D: Synthesis of aspartyl-tRNA(Asp) in Escherichia coli--a snapshot of the second step. EMBO J. 1999 Nov 15;18(22):6532-41. [PubMed:10562565 ]
  4. Fender A, Sauter C, Messmer M, Putz J, Giege R, Florentz C, Sissler M: Loss of a primordial identity element for a mammalian mitochondrial aminoacylation system. J Biol Chem. 2006 Jun 9;281(23):15980-6. Epub 2006 Apr 5. [PubMed:16597625 ]
  5. Cavarelli J, Eriani G, Rees B, Ruff M, Boeglin M, Mitschler A, Martin F, Gangloff J, Thierry JC, Moras D: The active site of yeast aspartyl-tRNA synthetase: structural and functional aspects of the aminoacylation reaction. EMBO J. 1994 Jan 15;13(2):327-37. [PubMed:8313877 ]
Enzyme Details
9. Argininosuccinate synthase
General function:
Involved in argininosuccinate synthase activity
Specific function:
Not Available
Gene Name:
ASS1
Uniprot ID:
P00966
Molecular weight:
46530.055
Reactions
Adenosine triphosphate + Citrulline + L-Aspartic acid → Adenosine monophosphate + Pyrophosphate + Argininosuccinic aciddetails
Adenosine triphosphate + Citrulline + L-Aspartic acid → Adenosine monophosphate + Pyrophosphate + Argininosuccinic 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 ]
  3. Flam BR, Eichler DC, Solomonson LP: Endothelial nitric oxide production is tightly coupled to the citrulline-NO cycle. Nitric Oxide. 2007 Nov-Dec;17(3-4):115-21. Epub 2007 Aug 3. [PubMed:17869551 ]
  4. Ben-Yoseph Y, Mitchell DA: Detection of kinetically abnormal argininosuccinate synthase in neonatal citrullinemia by conversion of citrulline to arginine in intact fibroblasts. Clin Chim Acta. 1989 Aug 15;183(2):125-33. [PubMed:2791302 ]
  5. Shen LJ, Beloussow K, Shen WC: Accessibility of endothelial and inducible nitric oxide synthase to the intracellular citrulline-arginine regeneration pathway. Biochem Pharmacol. 2005 Jan 1;69(1):97-104. [PubMed:15588718 ]
Enzyme Details
10. Glutamate dehydrogenase 1, mitochondrial
General function:
Involved in oxidoreductase activity
Specific function:
May be involved in learning and memory reactions by increasing the turnover of the excitatory neurotransmitter glutamate (By similarity).
Gene Name:
GLUD1
Uniprot ID:
P00367
Molecular weight:
61397.315

Transporters

Enzyme Details
1. Monocarboxylate transporter 10
General function:
Involved in transmembrane transport
Specific function:
Sodium-independent transporter that mediates the update of aromatic acid. Can function as a net efflux pathway for aromatic amino acids in the basosolateral epithelial cells
Gene Name:
SLC16A10
Uniprot ID:
Q8TF71
Molecular weight:
55492.1
References
  1. Kim DK, Kanai Y, Chairoungdua A, Matsuo H, Cha SH, Endou H: Expression cloning of a Na+-independent aromatic amino acid transporter with structural similarity to H+/monocarboxylate transporters. J Biol Chem. 2001 May 18;276(20):17221-8. Epub 2001 Feb 20. [PubMed:11278508 ]

Only showing the first 10 proteins. There are 32 proteins in total.

Show all enzymes and transporters