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

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Record Information
Version1.0
Created at2007-05-23 11:20:02 UTC
Updated at2021-08-19 23:58:51 UTC
NP-MRD IDNP0001151
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, experimental)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, experimental)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, experimental)V.dorna832021-09-05View 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
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, simulated)V.dorna832021-08-15View 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
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 rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. rapaFooDB
Brosimum alicastrumFooDB
Brosme brosmeFooDB
Bubalus bubalisFooDB
BuccinidaeFooDB
Byrsonima crassifoliaLOTUS Database
Cajanus cajanFooDB
Calendula officinalisLOTUS Database
Callinectes sapidusFooDB
Canarium ovatumFooDB
Cancer magisterFooDB
Cannabis sativaLOTUS Database
Cantharellus cibariusFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
Carica papaya L.FooDB
CarideaFooDB
Carthamus tinctoriusFooDB
CaryaFooDB
Carya illinoinensisFooDB
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Catostomus commersoniiFooDB
Centaurea solstitialisLOTUS Database
CervidaeFooDB
Cervus canadensisFooDB
Chanos chanosFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chondria armataLOTUS Database
Chrysophyllum roxburghiiLOTUS Database
Cicer arietinumFooDB
CichlidaeFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
CinnamomumFooDB
CirsiumFooDB
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus limonFooDB
Citrus paradisiFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Clupea harengus harengusFooDB
Clupea pallasiiFooDB
ClupeinaeFooDB
Cocos nuciferaFooDB
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
ColumbaFooDB
ColumbidaeFooDB
Corchorus aestuansLOTUS Database
Corchorus olitoriusFooDB
CoregonusFooDB
Coregonus artediFooDB
Coriandrum sativum L.FooDB
CorylusFooDB
Corylus avellanaFooDB
Crassostrea gigasFooDB
Crassostrea virginicaFooDB
Cucumis meloFooDB
Cucumis sativus L.FooDB
CucurbitaFooDB
Cucurbita foetidissimaLOTUS Database
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Curcuma longaFooDB
Cycas circinalisLOTUS Database
CyclopteridaeFooDB
Cydonia oblongaFooDB
Cynara scolymusFooDB
Cyprinus carpioFooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
    • David M. Alabran, and Ahmed F. Mabrouk. Carrot flavor. Sugars and free nitrogenous compounds in f...
Dimocarpus longanFooDB
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros kakiFooDB
Diospyros virginianaFooDB
Dromaius novaehollandiaeFooDB
ElaeisFooDB
EngraulidaeFooDB
Engraulis encrasicolusFooDB
EpinephelusFooDB
Equus caballusFooDB
Eragrostis tefFooDB
Eriobotrya japonicaFooDB
Esox luciusFooDB
EucheumaFooDB
Fagopyrum esculentumFooDB
FagusFooDB
Feijoa sellowianaFooDB
Ficus caricaFooDB
Flammulina velutipesLOTUS Database
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
GadiformesFooDB
GadusFooDB
Gadus macrocephalusFooDB
Gadus morhuaFooDB
Gallus gallusFooDB
GastropodaFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
GossypiumFooDB
Gossypium hirsutumLOTUS Database
Grifola frondosaFooDB
Gyromitra esculentaLOTUS Database
Hansenia weberbauerianaLOTUS Database
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
HippoglossusFooDB
Hippoglossus hippoglossusFooDB
Hippoglossus stenolepisFooDB
Homarus americanusFooDB
Hoplostethus atlanticusFooDB
Hordeum vulgareFooDB
Hydrilla verticillataLOTUS Database
Ictalurus punctatusFooDB
Indigofera schimperiLOTUS Database
Ipomoea batatasFooDB
Jatropha gossypifoliaLOTUS Database
JuglansFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Juncus roemerianusLOTUS Database
Katsuwonus pelamisFooDB
Lablab purpureusFooDB
Lactuca sativaFooDB
Lagopus mutaFooDB
LaminariaFooDB
Lathyrus sativusLOTUS Database
Leiostomus xanthurusFooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Lepidium sativumFooDB
Lepomis gibbosusFooDB
LeporidaeFooDB
Lepus timidusFooDB
Limanda limandaFooDB
Linum usitatissimumFooDB
Litchi chinensisFooDB
Lophius piscatoriusFooDB
Lopholatilus chamaeleonticepsFooDB
Lota lotaFooDB
LupinusFooDB
LutjanidaeFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
MalusFooDB
Malus pumilaFooDB
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Medicago sativaFooDB
Melanitta fuscaFooDB
Melanogrammus aeglefinusFooDB
Meleagris gallopavoFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Merlangius merlangusFooDB
Micromesistius poutassouFooDB
Micropogonias undulatusFooDB
Microstomus kittFooDB
Molva molvaFooDB
Morone saxatilisFooDB
Mugil cephalusFooDB
Mus musculusLOTUS Database
Musa acuminataFooDB
Musa x paradisiacaFooDB
Myristica fragransFooDB
MytilidaeFooDB
Mytilus edulisFooDB
NelumboFooDB
NephropidaeFooDB
Nephrops norvegicusFooDB
Nicotiana tabacumLOTUS Database
Numida meleagrisFooDB
Ocimum basilicumFooDB
Octopus vulgarisFooDB
OdocoileusFooDB
Olea europaeaFooDB
Oncorhynchus gorbuschaFooDB
Oncorhynchus ketaFooDB
Oncorhynchus kisutchFooDB
Oncorhynchus mykissFooDB
Oncorhynchus nerkaFooDB
Oncorhynchus tshawytschaFooDB
Ophiodon elongatusFooDB
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
OryctolagusFooDB
Oryza rufipogonFooDB
Oryza sativaFooDB
Osmerus mordaxFooDB
Ovis ariesFooDB
Pachyrhizus erosusFooDB
PalinuridaeFooDB
Panax ginsengLOTUS Database
Panicum miliaceumFooDB
PapaverFooDB
Paralithodes camtschaticusFooDB
Passiflora edulisFooDB
Pastinaca sativaFooDB
PectinidaeFooDB
Peprilus triacanthusFooDB
PerciformesFooDB
PercoideiFooDB
Persea americanaFooDB
Petroselinum crispumFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Phoenix dactyliferaFooDB
Phyllostachys edulisFooDB
Phyllostachys nigraLOTUS Database
PhysalisFooDB
Picea marianaLOTUS Database
PinusFooDB
Pinus densifloraLOTUS Database
Pinus edulisFooDB
Pinus ponderosaLOTUS Database
Piper nigrum L.FooDB
Pistacia veraFooDB
Pisum sativumFooDB
PleuronectidaeFooDB
PleuronectiformesFooDB
Pleurotus ostreatusFooDB
PollachiusFooDB
Pollachius pollachiusFooDB
Pomatomus saltatrixFooDB
Pouteria sapotaFooDB
Prunus armeniacaFooDB
Prunus avium L.FooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Punica granatumFooDB
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Ramalina fraxineaLOTUS Database
RanidaeFooDB
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Reinhardtius hippoglossoidesFooDB
Rheum rhabarbarumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
Ripariosida hermaphroditaLOTUS Database
RosaFooDB
RumexFooDB
Rumex acetosaFooDB
Saccharina japonicaFooDB
Salmo salarFooDB
Salmo trutta forma truttaFooDB
SalmonidaeFooDB
SalvelinusFooDB
Salvelinus namaycushFooDB
Salvia hispanicaFooDB
Salvia rosmarinusFooDB
Sambucus nigra L.FooDB
Sander luciopercaFooDB
Scomberomorus cavallaFooDB
Scomberomorus maculatusFooDB
ScombridaeFooDB
Scophthalmus maximusFooDB
Scorzonera hispanicaFooDB
SebastesFooDB
Sebastes alutusFooDB
Sebastes viviparusFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Senna obtusifoliaLOTUS Database
SepiidaeFooDB
Seriola lalandiFooDB
Sesamum indicumFooDB
SiluriformesFooDB
Solanum lycopersicumFooDB
Solanum melongenaFooDB
Solanum tuberosumFooDB
SoleidaeFooDB
Sorghum bicolorFooDB
Spermacoce pusillaLOTUS Database
Spinacia oleraceaFooDB
SpirulinaFooDB
SqualiformesFooDB
Squalus acanthiasFooDB
Stangeria eriopusLOTUS Database
Stenodus leucichthysFooDB
Stenotomus chrysopsFooDB
Struthio camelusFooDB
Styphnolobium japonicumLOTUS Database
Suaeda aegyptiacaLOTUS Database
Suaeda nudifloraLOTUS Database
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Swertia angustifoliaLOTUS Database
Syzygium aromaticumFooDB
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
TeuthidaFooDB
ThunnusFooDB
Thunnus albacaresFooDB
Thunnus thynnusFooDB
Thymus transcaucasicusLOTUS Database
Trachinotus carolinusFooDB
Trachurus symmetricusFooDB
Treculia africanaLOTUS Database
Trigonella foenum-graecumFooDB
Trisopterus esmarkiiFooDB
TriticumFooDB
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Undaria pinnatifidaFooDB
VacciniumFooDB
Vaccinium myrtillusFooDB
Vaccinium vitis-idaeaFooDB
Valeriana officinalisLOTUS Database
Vigna angularisFooDB
Vigna radiataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Virola surinamensisFooDB
VitisFooDB
Xiphias gladiusFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
ZizaniaFooDB
Zoarces americanusFooDB
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. Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]
  3. 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 ]
  4. 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 ]
  5. 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 ]