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Showing NP-Card for D-Aspartic acid (NP0001151)

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Record Information
Version2.0
Created at2007-05-23 11:20:02 UTC
Updated at2025-07-18 00:04:13 UTC
NP-MRD IDNP0001151
Natural Product DOIhttps://doi.org/10.57994/4335
Secondary Accession NumbersNone
Natural Product Identification
Common NameD-Aspartic acid
DescriptionD-Aspartic acid is the D-isomer of aspartic acid. Since its discovery in invertebrates, free D-aspartate (D-Asp) has been identified in a variety of organisms, including microorganisms, plants, and lower animals, mammals and humans. D-Asp in mammalian tissues is present in specific cells, indicating the existence of specific molecular components that regulate D-Asp levels and localization in tissues. In the rat adrenal medulla, D-Asp is closely associated with adrenaline-cells (A-cells), which account for approximately 80% of the total number of chromaffin cells in the tissue, and which make and store adrenaline. D-Asp appears to be absent from noradrenaline-cells (NA-cells), which comprise approximately 20% of the total number of chromaffin cells in the adrenal medulla, and which make and store noradrenaline. D-aspartate oxidase (EC 1.4.3.1, D-AspO), which catalyzes oxidative deamination of D-Asp, appears to be present only in NA-cells, suggesting that the lack of D-Asp in these cells is due to D-Asp oxidase-mediated metabolism of D-Asp. In the rat adrenal cortex, the distribution of D-Asp changes during development. It has been suggested that developmental changes in the localization of D-Asp reflects the participation of D-Asp in the development and maturation of steroidogenesis in rat adrenal cortical cells. D-Asp is involved in steroid hormone synthesis and secretion in mammals as well. D-Asp is synthesized intracellularly, most likely by Asp racemase (EC 5.1.1.13). Endogenous D-Asp apparently has two different intracellular localization patterns: Cytoplasmic and vesicular. D-Asp release can occur through three distinct pathways: 1) Spontaneous, continuous release of cytoplasmic D-Asp, which is not associated with a specific stimulus; 2) release of cytoplasmic D-Asp via a volume-sensitive organic anion channel that connects the cytoplasm and extracellular space; 3) exocytotic discharge of vesicular D-Asp. D-Asp can be released via a mechanism that involves the L-Glu transporter. D-Asp is thus apparently in dynamic flux at the cellular level to carry out its physiological function(s) in mammals (PMID:16755369 ).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0001151 (D-Aspartic acid)


     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -0.0576   -1.9854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196    0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6394    2.3755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161    0.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6473    0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1098    1.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1464    0.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7618   -3.3098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4367   -2.1162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1245   -1.5081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142    1.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636   -1.0841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882    0.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412    1.7786    0.0000 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  6
  3 13  1  1
  3 14  1  0
  6 15  1  0
  9 16  1  0
M  END
Download

3D MOL for NP0001151 (D-Aspartic acid)

HMDB0006483
     RDKit          3D
D-Aspartic acid
 16 15  0  0  0  0  0  0  0  0999 V2000
   -0.4043   -1.6045   -0.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5110   -0.2452   -0.8551 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5742    0.6307   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328    0.2039   -0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6047    0.7692   -1.4507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888   -0.8491    0.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8025    0.3193   -0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165   -0.3261    0.3753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067    1.5445   -0.8886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089   -2.2330   -1.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9254   -1.7213    0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4342   -0.2128   -1.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516    1.6712   -0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4216    0.6368    0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4872   -1.0170    0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1514    2.4335   -0.4690 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  6
  3 13  1  0
  3 14  1  0
  6 15  1  0
  9 16  1  0
M  END
Download

3D SDF for NP0001151 (D-Aspartic acid)


     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -0.0576   -1.9854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196    0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6394    2.3755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161    0.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6473    0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1098    1.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1464    0.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7618   -3.3098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4367   -2.1162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1245   -1.5081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142    1.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3636   -1.0841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882    0.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412    1.7786    0.0000 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  6
  3 13  1  1
  3 14  1  0
  6 15  1  0
  9 16  1  0
M  END
> <DATABASE_ID>
NP0001151

> <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-/m1/s1

> <INCHI_KEY>
CKLJMWTZIZZHCS-UWTATZPHSA-N

> <FORMULA>
C4H7NO4

> <MOLECULAR_WEIGHT>
133.1027

> <EXACT_MASS>
133.037507717

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.347850299850892

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-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>
100.62

> <JCHEM_REFRACTIVITY>
26.532700000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.42e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-aspartic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0001151 (D-Aspartic acid)

HMDB0006483
     RDKit          3D
D-Aspartic acid
 16 15  0  0  0  0  0  0  0  0999 V2000
   -0.4043   -1.6045   -0.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5110   -0.2452   -0.8551 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5742    0.6307   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9328    0.2039   -0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6047    0.7692   -1.4507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888   -0.8491    0.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8025    0.3193   -0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165   -0.3261    0.3753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067    1.5445   -0.8886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9089   -2.2330   -1.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9254   -1.7213    0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4342   -0.2128   -1.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516    1.6712   -0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4216    0.6368    0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4872   -1.0170    0.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1514    2.4335   -0.4690 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  6
  3 13  1  0
  3 14  1  0
  6 15  1  0
  9 16  1  0
M  END
Download

PDB for NP0001151 (D-Aspartic acid)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  N   UNK     0       3.644   0.222   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       3.644   1.762   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310   2.532   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.976   1.762   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.357   2.532   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       0.976   0.222   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.977   2.532   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.311   1.762   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       4.977   4.072   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    2    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for NP0001151 (D-Aspartic acid)

COMPND    HMDB0006483
HETATM    1  N1  UNL     1      -0.404  -1.605  -0.367  1.00  0.00           N  
HETATM    2  C1  UNL     1      -0.511  -0.245  -0.855  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.574   0.631  -0.244  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.933   0.204  -0.555  1.00  0.00           C  
HETATM    5  O1  UNL     1       2.605   0.769  -1.451  1.00  0.00           O  
HETATM    6  O2  UNL     1       2.489  -0.849   0.153  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.802   0.319  -0.417  1.00  0.00           C  
HETATM    8  O3  UNL     1      -2.517  -0.326   0.375  1.00  0.00           O  
HETATM    9  O4  UNL     1      -2.207   1.545  -0.889  1.00  0.00           O  
HETATM   10  H1  UNL     1      -0.909  -2.233  -1.033  1.00  0.00           H  
HETATM   11  H2  UNL     1      -0.925  -1.721   0.552  1.00  0.00           H  
HETATM   12  H3  UNL     1      -0.434  -0.213  -1.939  1.00  0.00           H  
HETATM   13  H4  UNL     1       0.352   1.671  -0.613  1.00  0.00           H  
HETATM   14  H5  UNL     1       0.422   0.637   0.850  1.00  0.00           H  
HETATM   15  H6  UNL     1       3.487  -1.017   0.187  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.151   2.433  -0.469  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 NP0001151 (D-Aspartic acid)

N[C@H](CC(O)=O)C(O)=O
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INCHI for NP0001151 (D-Aspartic acid)

InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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View in JSmol
Synonyms
ValueSource
(R)-2-Aminobutanedioic acidChEBI
(R)-2-Aminosuccinic acidChEBI
Aspartic acid D-formChEBI
D-AsparaginsaeureChEBI
DASChEBI
(R)-2-AminobutanedioateGenerator
(R)-2-AminosuccinateGenerator
Aspartate D-formGenerator
D-AspartateGenerator
D AspartateHMDB
D Aspartic acidHMDB
(-)-Aspartic acidHMDB
(2R)-2-AminobutanedioateHMDB
(2R)-2-Aminobutanedioic acidHMDB
(R)-Aspartic acidHMDB
1-Amino-1,2-carboxyethaneHMDB
Aspartic acidHMDB
D-(-)-Aspartic acidHMDB
delta-(-)-Aspartic acidHMDB
delta-AsparaginsaeureHMDB
delta-AspartateHMDB
delta-Aspartic acidHMDB
Lopac-alpha-9256HMDB
Tocris-0213HMDB
Chemical FormulaC4H7NO4
Average Mass133.1027 Da
Monoisotopic Mass133.03751 Da
IUPAC Name(2R)-2-aminobutanedioic acid
Traditional NameD-aspartic acid
CAS Registry Number1783-96-6
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-/m1/s1
InChI KeyCKLJMWTZIZZHCS-UWTATZPHSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, simulated)V.dorna832021-09-05View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, simulated)V.dorna832021-09-05View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, simulated)V.dorna832021-09-05View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)Not AvailableSumner lab, University of MissouriRonald Myers2025-07-16View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)Not AvailableSumner lab, University of MissouriRonald Myers2025-07-16View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)Not AvailableSumner lab, University of MissouriRonald Myers2025-07-16View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)Not AvailableSumner lab, University of MissouriRonald Myers2025-07-16View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600.0 MHz, C2D6OS, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600.0, C2D6OS, simulated)rjm4kd@umsystem.eduSumner lab, University of MissouriRonald Myers2025-07-16View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, simulated)v.dorna83@yahoo.comNot AvailableNot Available2021-08-15View Spectrum
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Abramis bramaFooDB
AcipenserFooDB
AcipenseridaeFooDB
Actinidia chinensisFooDB
Agaricus bisporusFooDB
AgaveFooDB
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Alosa sapidissimaFooDB
AmaranthusFooDB
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anarhichas lupusFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anethum graveolensFooDB
AnguillaFooDB
AnguilliformesFooDB
Annona cherimolaFooDB
Anoplopoma fimbriaFooDB
Anser anserFooDB
Anthriscus cerefoliumFooDB
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Aplodinotus grunniensFooDB
Arabidopsis thalianaLOTUS Database
Arachis hypogaeaFooDB
Archosargus probatocephalusFooDB
Arctium lappaFooDB
Armoracia rusticanaFooDB
Artemia salinaLOTUS Database
Artemisia absinthiumLOTUS Database
Artocarpus heterophyllusFooDB
Asparagus officinalisFooDB
AstacideaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Belone beloneFooDB
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
BrachyuraFooDB
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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
  • D-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 PointNot AvailableNot Available
Boiling Point264.12 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility1000000 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-1.075 (est)The Good Scents Company Information System
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
Polarizability11.35 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0006483
DrugBank IDDB02655
Phenol Explorer Compound IDNot Available
FoodDB IDFDB023933
KNApSAcK IDNot Available
Chemspider ID75697
KEGG Compound IDC00402
BioCyc IDCPD-302
BiGG ID34874
Wikipedia LinkAspartic acid
METLIN ID15
PubChem Compound83887
PDB IDDAS
ChEBI ID17364
Good Scents IDrw1233701
References
General References
  1. Homma H: Biochemistry of D-aspartate in mammalian cells. Amino Acids. 2007 Jan;32(1):3-11. Epub 2006 Jun 7. [PubMed:16755369 ]
  2. Morikawa A, Hamase K, Inoue T, Konno R, Niwa A, Zaitsu K: Determination of free D-aspartic acid, D-serine and D-alanine in the brain of mutant mice lacking D-amino acid oxidase activity. J Chromatogr B Biomed Sci Appl. 2001 Jun 5;757(1):119-25. doi: 10.1016/s0378-4347(01)00131-1. [PubMed:11419736 ]
  3. D'Aniello A: D-Aspartic acid: an endogenous amino acid with an important neuroendocrine role. Brain Res Rev. 2007 Feb;53(2):215-34. doi: 10.1016/j.brainresrev.2006.08.005. Epub 2006 Nov 21. [PubMed:17118457 ]
  4. Casado FJ, Sanchez AH, Rejano L, Montano A: D-amino acid formation in sterilized alkali-treated olives. J Agric Food Chem. 2007 May 2;55(9):3503-7. doi: 10.1021/jf0701685. Epub 2007 Apr 4. [PubMed:17407322 ]