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Showing NP-Card for L-Aspartic acid (NP0000437)

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Record Information
Version2.0
Created at2005-11-16 15:48:42 UTC
Updated at2022-02-03 21:49:48 UTC
NP-MRD IDNP0000437
Secondary Accession NumbersNone
Natural Product 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000437 (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 NP0000437 (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 NP0000437 (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>
NP0000437

> <DATABASE_NAME>
NP-MRD

> <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 NP0000437 (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 NP0000437 (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 NP0000437 (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 NP0000437 (L-Aspartic acid)

N[C@@H](CC(O)=O)C(O)=O
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INCHI for NP0000437 (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 JSmol
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 Mass133.1027 Da
Monoisotopic Mass133.03751 Da
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
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, simulated)Ahselim2022-02-04View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 400 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, simulated)varshavi.d26@gmail.comNot AvailableNot Available2021-08-01View Spectrum
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Abutilon indicumLOTUS Database
Actinidia chinensisFooDB
Agaricus bisporusFooDB
Agaricus campestrisLOTUS Database
AgaveFooDB
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium rotundumLOTUS Database
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Aloysia triphyllaFooDB
AmaranthusFooDB
Amelanchier alnifoliaFooDB
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anarhichas lupusFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anethum graveolensFooDB
Angelica keiskeiFooDB
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anser anserFooDB
Anthriscus cerefoliumFooDB
Antirrhinum majusLOTUS Database
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Arabidopsis thalianaPlant
Arachis hypogaeaFooDB
Arctium lappaFooDB
Armoracia rusticanaFooDB
Artemia salinaLOTUS Database
Artemisia absinthiumLOTUS Database
Artemisia dracunculusFooDB
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Asparagus officinalisFooDB
AstacideaFooDB
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Basella albaFooDB
Benincasa hispidaFooDB
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Bison bisonFooDB
BivalviaFooDB
Borago officinalisFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica alboglabraFooDB
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brosimum alicastrumFooDB
Bubalus bubalisFooDB
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Cannabis sativaCannabisDB
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Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Carica papaya L.FooDB
CarideaFooDB
Carissa macrocarpaFooDB
Carthamus tinctoriusFooDB
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CaryaFooDB
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Centaurea solstitialisLOTUS Database
Ceratonia siliquaFooDB
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Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
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Chenopodium quinoaFooDB
Chionoecetes opilioFooDB
Chlamydomonas reinhardtiiLOTUS Database
Chrysanthemum coronariumFooDB
Chrysophyllum roxburghiiLOTUS Database
Cicer arietinumFooDB
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CinnamomumFooDB
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Citrullus lanatusFooDB
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Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
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Colchicum trigynumLOTUS Database
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Cucurbita maximaFooDB
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Dromaius novaehollandiaeFooDB
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
Equus caballusFooDB
Eragrostis tefFooDB
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Eruca vesicaria subsp. SativaFooDB
Eugenia javanicaFooDB
Eugenia unifloraFooDB
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FagusFooDB
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Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
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Gaylussacia baccataFooDB
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Helianthus annuus L.FooDB
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Hibiscus sabbariffaFooDB
HippoglossusFooDB
Hippophae rhamnoidesFooDB
Homo sapiensLOTUS Database
Homo sapiens (Serum)Animalia
Homo sapiens (Urine)Animalia
Hoplostethus atlanticusFooDB
Hordeum vulgareFooDB
Hyssopus officinalis L.FooDB
Ictalurus punctatusFooDB
Illicium verumFooDB
Indigofera schimperiLOTUS Database
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
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Lentinus edodesFooDB
Lepidium sativumFooDB
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LeporidaeFooDB
Lepus timidusFooDB
Levisticum officinaleFooDB
Linum usitatissimumFooDB
Litchi chinensisFooDB
Lotus corniculatusLOTUS Database
Lotus creticusLOTUS Database
Luffa aegyptiacaFooDB
LupinusFooDB
Lupinus albusFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Maranta arundinaceaFooDB
Matricaria recutitaFooDB
Matteuccia struthiopterisFooDB
Medicago sativaFooDB
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Melissa officinalis L.FooDB
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Momordica charantiaFooDB
MorchellaceaeFooDB
Morella rubraFooDB
Moringa oleiferaFooDB
MorusFooDB
Morus nigraFooDB
Mus musculusLOTUS Database
Musa acuminataFooDB
Musa x paradisiacaFooDB
MyricaFooDB
Myristica fragransFooDB
NelumboFooDB
Nelumbo nuciferaFooDB
Nephelium lappaceumFooDB
Nicotiana tabacumLOTUS Database
Numida meleagrisFooDB
Nuphar luteaFooDB
Ocimum basilicumFooDB
Octopus vulgarisFooDB
OdocoileusFooDB
Oenothera biennisFooDB
Olea europaeaFooDB
Oncorhynchus gorbuschaFooDB
Oncorhynchus ketaFooDB
Oncorhynchus kisutchFooDB
Oncorhynchus mykissFooDB
Oncorhynchus nerkaFooDB
Oncorhynchus tshawytschaFooDB
Onobrychis kacheticaLOTUS Database
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia macrorhizaFooDB
Origanum majoranaFooDB
Origanum onitesFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
OryctolagusFooDB
Oryza rufipogonFooDB
Oryza sativaFooDB
OsmeridaeFooDB
Ovis ariesFooDB
Pachyrhizus erosusFooDB
PalinuridaeFooDB
Panax ginsengFooDB
Pangium eduleFooDB
Panicum miliaceumFooDB
Passiflora edulisFooDB
Pastinaca sativaFooDB
PectinidaeFooDB
Pediomelum esculentumFooDB
Perideridia oreganaFooDB
Persea americanaFooDB
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Picea marianaLOTUS Database
Pimenta dioicaFooDB
Pimpinella anisumFooDB
PinusFooDB
Pinus densifloraLOTUS Database
Pinus edulisFooDB
Pinus ponderosaLOTUS Database
Piper nigrum L.FooDB
Pistacia veraFooDB
Pisum sativumFooDB
Pleurotus ostreatusFooDB
Polygonum alpinumFooDB
Populus tremulaLOTUS Database
Portulaca oleraceaFooDB
Pouteria sapotaFooDB
Prunus armeniacaFooDB
Prunus aviumFooDB
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Puccinia graminisLOTUS Database
Punica granatumFooDB
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Ramalina fraxineaLOTUS Database
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rheum rhabarbarumFooDB
Rhynchospora colorataLOTUS Database
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
Ripariosida hermaphroditaLOTUS Database
RosaFooDB
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus spectabilisFooDB
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Sagittaria latifoliaFooDB
Salix pulchraFooDB
Salmo salarFooDB
Salmonella entericaLOTUS Database
SalmonidaeFooDB
Salvia elegansFooDB
Salvia hispanicaFooDB
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Satureja hortensis L.FooDB
Satureja montanaFooDB
Scophthalmus maximusFooDB
Scorzonera hispanicaFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Senna obtusifoliaLOTUS Database
SepiidaeFooDB
Seriola lalandiFooDB
Sesamum indicumFooDB
Sesbania bispinosaFooDB
SiluriformesFooDB
Sinapis albaFooDB
SisymbriumFooDB
Solanum lycopersicumFooDB
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum quitoenseFooDB
Solanum tuberosumFooDB
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Spinacia oleraceaFooDB
Stangeria eriopusLOTUS Database
Stellaria mediaLOTUS Database
Stenodus leucichthysFooDB
Streptomyces akiyoshiensisLOTUS Database
Streptomyces platensisLOTUS Database
Struthio camelusFooDB
Styphnolobium japonicumLOTUS Database
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Syzygium aromaticumFooDB
Syzygium cuminiFooDB
Syzygium jambosFooDB
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
Tetragonia tetragonioidesFooDB
Thalassiosira pseudonanaLOTUS Database
ThelespermaFooDB
Thunnus albacaresFooDB
Thymus pulegioidesFooDB
Thymus transcaucasicusLOTUS Database
Thymus vulgarisFooDB
Tilia cordataFooDB
Tilia L.FooDB
Tragopogon porrifoliusFooDB
Treculia africanaLOTUS Database
Trigonella foenum-graecumFooDB
TriticumFooDB
Triticum aestivumFooDB
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Trypanosoma bruceiLOTUS Database
Typha angustifoliaFooDB
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Valeriana officinalisLOTUS Database
Valerianella locustaFooDB
VanillaFooDB
Verbena officinalisFooDB
Viburnum eduleFooDB
Vicia fabaFooDB
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
Viscum albumLOTUS Database
VitisFooDB
Vitis aestivalisFooDB
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis vinifera L.FooDB
Xanthosoma sagittifoliumFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
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
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point270 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility5.39 mg/mLYalkowsky, S. H., & Dannenfelser, R. M. (1992). Aquasol database of aqueous solubility. College of Pharmacy, University of Arizona, Tucson, AZ, 189.
LogP-3.89Chmelík, J., Hudecek, J., Putyera, K., Makovicka, J., Kalous, V., & Chmelíková, J. (1991). Characterization of the hydrophobic properties of amino acids on the basis of their partition and distribution coefficients in the 1-octanol-water system. Collection of Czechoslovak chemical communications, 56(10), 2030-2041.
Predicted Properties
PropertyValueSource
Water Solubility142 g/LALOGPS
logP-3.5ALOGPS
logP-3.5ChemAxon
logS0.03ALOGPS
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
HMDB IDHMDB0000191
DrugBank IDDB00128
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030958
KNApSAcK IDC00001342
Chemspider ID5745
KEGG Compound IDC00049
BioCyc IDL-ASPARTATE
BiGG ID33663
Wikipedia LinkAspartic acid
METLIN ID5206
PubChem Compound5960
PDB IDNot Available
ChEBI ID17053
Good Scents IDrw1037291
References
General References
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  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 ]
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  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. 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 ]
  17. 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 ]
  18. 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 ]
  19. 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 ]
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  21. Jouyandeh M, Tavakoli O, Sarkhanpour R, Sajadi SM, Zarrintaj P, Rabiee N, Akhavan O, Lima EC, Saeb MR: Green products from herbal medicine wastes by subcritical water treatment. J Hazard Mater. 2022 Feb 15;424(Pt A):127294. doi: 10.1016/j.jhazmat.2021.127294. Epub 2021 Sep 20. [PubMed:34592595 ]