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Showing NP-Card for O-Phospho-DL-threonine (NP0002825)

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Record Information
Version2.0
Created at2020-11-23 19:41:23 UTC
Updated at2021-08-12 19:52:15 UTC
NP-MRD IDNP0002825
Secondary Accession NumbersNone
Natural Product Identification
Common NameO-Phospho-DL-threonine
Provided ByBMRBBMRB logo
DescriptionO-Phosphothreonine, also known as L-threonine phosphate, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. O-Phosphothreonine exists in all living organisms, ranging from bacteria to humans. O-Phosphothreonine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. O-Phospho-DL-threonine is found in Daphnia pulex and Medicago sativa. O-Phospho-DL-threonine was first documented in 1993 (PMID: 7693088). Based on a literature review a small amount of articles have been published on O-Phosphothreonine (PMID: 11782793) (PMID: 15022197).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0002825 (O-Phospho-DL-threonine)


     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.6863   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4068   -0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3762   -1.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -1.5546    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.9141   -3.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373   -0.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3752   -1.5162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1898    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4693    0.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896    1.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4849    1.1983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0512    3.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033   -2.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545   -0.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8607   -2.0297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9585    0.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1167    0.7279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917   -0.1984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9728    2.2453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    0.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -1.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306    4.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  3  1  6
  4  5  2  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  6
  1 14  1  0
  1 15  1  0
  2 16  1  6
  6 17  1  0
  7 18  1  0
  8 19  1  6
  9 20  1  0
  9 21  1  0
 12 22  1  0
M  END
Download

3D MOL for NP0002825 (O-Phospho-DL-threonine)

NP0002825
     RDKit          3D

 22 21  0  0  0  0  0  0  0  0999 V2000
   -0.0518    1.6674    0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0849    0.2759    0.3588 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1089   -0.3861    1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645   -0.8326   -0.1065 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.6726   -0.7887   -1.4983 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -2.4148    0.2540 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.1479   -0.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510   -0.4205    0.5613 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2125   -1.7799    0.0774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391    0.3465   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8373   -0.2557   -1.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236    1.6843    0.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116    2.0366    1.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122    2.3939    0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692    1.6760    1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    0.3440   -0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1015   -2.3892    1.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    1.1070   -0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927   -0.3735    1.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943   -1.7206   -0.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1624   -2.1725    0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3160    1.8548    0.6391 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
  4  7  1  0
  2  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  6
  6 17  1  0
  7 18  1  0
  8 19  1  1
  9 20  1  0
  9 21  1  0
 12 22  1  0
M  END
Download

3D SDF for NP0002825 (O-Phospho-DL-threonine)


     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.6863   -1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4068   -0.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3762   -1.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -1.5546    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.9141   -3.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373   -0.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3752   -1.5162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1898    0.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4693    0.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896    1.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4849    1.1983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0512    3.2483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033   -2.3760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545   -0.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8607   -2.0297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9585    0.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1167    0.7279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917   -0.1984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9728    2.2453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    0.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -1.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3306    4.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  3  1  6
  4  5  2  0
  4  6  1  0
  4  7  1  0
  2  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  6
  1 14  1  0
  1 15  1  0
  2 16  1  6
  6 17  1  0
  7 18  1  0
  8 19  1  6
  9 20  1  0
  9 21  1  0
 12 22  1  0
M  END
> <DATABASE_ID>
NP0002825

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1

> <INCHI_KEY>
USRGIUJOYOXOQJ-GBXIJSLDSA-N

> <FORMULA>
C4H10NO6P

> <MOLECULAR_WEIGHT>
199.0991

> <EXACT_MASS>
199.024573569

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
15.432093653557242

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R)-2-amino-3-(phosphonooxy)butanoic acid

> <ALOGPS_LOGP>
-1.86

> <JCHEM_LOGP>
-2.7024999243079155

> <ALOGPS_LOGS>
-0.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.1480381470609275

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2107285190080166

> <JCHEM_PKA_STRONGEST_BASIC>
9.465326155390212

> <JCHEM_POLAR_SURFACE_AREA>
130.08

> <JCHEM_REFRACTIVITY>
37.3327

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.35e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phosphothreonine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0002825 (O-Phospho-DL-threonine)

NP0002825
     RDKit          3D

 22 21  0  0  0  0  0  0  0  0999 V2000
   -0.0518    1.6674    0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0849    0.2759    0.3588 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1089   -0.3861    1.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645   -0.8326   -0.1065 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.6726   -0.7887   -1.4983 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -2.4148    0.2540 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.1479   -0.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510   -0.4205    0.5613 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2125   -1.7799    0.0774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391    0.3465   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8373   -0.2557   -1.1666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236    1.6843    0.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116    2.0366    1.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122    2.3939    0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692    1.6760    1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815    0.3440   -0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1015   -2.3892    1.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    1.1070   -0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927   -0.3735    1.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943   -1.7206   -0.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1624   -2.1725    0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3160    1.8548    0.6391 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
  4  7  1  0
  2  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  6
  6 17  1  0
  7 18  1  0
  8 19  1  1
  9 20  1  0
  9 21  1  0
 12 22  1  0
M  END
Download

PDB for NP0002825 (O-Phospho-DL-threonine)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      13.743  -5.851   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.410  -6.597   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.078  -5.825   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.105  -4.279   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      15.075  -6.597   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      12.410  -8.116   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0      13.769  -4.279   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       9.772  -6.571   0.000  0.00  0.00           O+0
HETATM    9  P   UNK     0       8.440  -5.825   0.000  0.00  0.00           P+0
HETATM   10  O   UNK     0       7.667  -7.157   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       7.081  -5.052   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       9.186  -4.466   0.000  0.00  0.00           O+0
CONECT    1    2    5    7                                                  
CONECT    2    1    3    6                                                  
CONECT    3    2    8    4                                                  
CONECT    4    3                                                            
CONECT    5    1                                                            
CONECT    6    2                                                            
CONECT    7    1                                                            
CONECT    8    3    9                                                       
CONECT    9    8   11   12   10                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
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3D PDB for NP0002825 (O-Phospho-DL-threonine)

COMPND    NP0002825
HETATM    1  C1  UNL     1      -0.052   1.667   0.932  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.085   0.276   0.359  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.109  -0.386   1.032  1.00  0.00           O  
HETATM    4  P1  UNL     1       2.264  -0.833  -0.106  1.00  0.00           P  
HETATM    5  O2  UNL     1       1.673  -0.789  -1.498  1.00  0.00           O  
HETATM    6  O3  UNL     1       2.766  -2.415   0.254  1.00  0.00           O  
HETATM    7  O4  UNL     1       3.638   0.148  -0.040  1.00  0.00           O  
HETATM    8  C3  UNL     1      -1.251  -0.421   0.561  1.00  0.00           C  
HETATM    9  N1  UNL     1      -1.212  -1.780   0.077  1.00  0.00           N  
HETATM   10  C4  UNL     1      -2.239   0.346  -0.234  1.00  0.00           C  
HETATM   11  O5  UNL     1      -2.837  -0.256  -1.167  1.00  0.00           O  
HETATM   12  O6  UNL     1      -2.524   1.684   0.011  1.00  0.00           O  
HETATM   13  H1  UNL     1       0.912   2.037   1.357  1.00  0.00           H  
HETATM   14  H2  UNL     1      -0.312   2.394   0.116  1.00  0.00           H  
HETATM   15  H3  UNL     1      -0.869   1.676   1.653  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.281   0.344  -0.743  1.00  0.00           H  
HETATM   17  H5  UNL     1       3.101  -2.389   1.190  1.00  0.00           H  
HETATM   18  H6  UNL     1       3.432   1.107  -0.069  1.00  0.00           H  
HETATM   19  H7  UNL     1      -1.493  -0.374   1.647  1.00  0.00           H  
HETATM   20  H8  UNL     1      -0.994  -1.721  -0.954  1.00  0.00           H  
HETATM   21  H9  UNL     1      -2.162  -2.173   0.161  1.00  0.00           H  
HETATM   22  H10 UNL     1      -3.316   1.855   0.639  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3    8   16
CONECT    3    4
CONECT    4    5    5    6    7
CONECT    6   17
CONECT    7   18
CONECT    8    9   10   19
CONECT    9   20   21
CONECT   10   11   11   12
CONECT   12   22
END
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SMILES for NP0002825 (O-Phospho-DL-threonine)

C[C@@H](OP(O)(O)=O)[C@H](N)C(O)=O
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INCHI for NP0002825 (O-Phospho-DL-threonine)

InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
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View in JSmol
Synonyms
ValueSource
(2S,3R)-2-Amino-3-hydroxybutanoic acid 3-phosphateChEBI
L-Threonine O-3-phosphateChEBI
L-Threonine phosphateChEBI
O3-PhosphothreonineChEBI
PhosphothreonineChEBI
Threonine phosphate esterChEBI
Threoninium dihydrogen phosphateChEBI
O-Phospho-L-threonineKegg
(2S,3R)-2-Amino-3-hydroxybutanoate 3-phosphateGenerator
(2S,3R)-2-Amino-3-hydroxybutanoic acid 3-phosphoric acidGenerator
L-Threonine O-3-phosphoric acidGenerator
L-Threonine phosphoric acidGenerator
Threonine phosphoric acid esterGenerator
Threoninium dihydrogen phosphoric acidGenerator
Phosphate, threonineMeSH, HMDB
Threonine phosphateMeSH, HMDB
Chemical FormulaC4H10NO6P
Average Mass199.0991 Da
Monoisotopic Mass199.02457 Da
IUPAC Name(2S,3R)-2-amino-3-(phosphonooxy)butanoic acid
Traditional Namephosphothreonine
CAS Registry NumberNot Available
SMILES
C[C@@H](OP(O)(O)=O)[C@H](N)C(O)=O
InChI Identifier
InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
InChI KeyUSRGIUJOYOXOQJ-GBXIJSLDSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Bubalus bubalisFooDB
Capra aegagrus hircusFooDB
CervidaeFooDB
Cervus canadensisFooDB
ColumbaFooDB
ColumbidaeFooDB
Daphnia pulexLOTUS Database
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Gallus gallusFooDB
Lagopus mutaFooDB
LeporidaeFooDB
Lepus timidusFooDB
Medicago sativaLOTUS Database
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.9ALOGPS
logP-2.7ChemAxon
logS-0.93ALOGPS
pKa (Strongest Acidic)1.21ChemAxon
pKa (Strongest Basic)9.47ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area130.08 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity37.33 m³·mol⁻¹ChemAxon
Polarizability15.43 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0011185
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB027954
KNApSAcK IDNot Available
Chemspider ID2497038
KEGG Compound IDC12147
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkThreonine
METLIN IDNot Available
PubChem Compound3246323
PDB IDTPO
ChEBI ID37525
Good Scents IDNot Available
References
General References
  1. Kataoka H, Nakai K, Katagiri Y, Makita M: Analysis of free and bound O-phosphoamino acids in urine by gas chromatography with flame photometric detection. Biomed Chromatogr. 1993 Jul-Aug;7(4):184-8. [PubMed:7693088 ]
  2. Arsenov DV, Golubeva MB, Kisel' MA, Konoplya NA, Lyubin GS, Kuz'mitskii BB, Strel'chenok OA: Modification of humoral immune response in C57Bl/6 mice with a complex of alpha-fetoprotein and retinoid acid derivatives. Bull Exp Biol Med. 2001 Oct;132(4):963-5. doi: 10.1023/a:1013615211043. [PubMed:11782793 ]
  3. Iuga A, Brunner E: Phosphorylated amino acids: model compounds for solid-state 31P NMR spectroscopic studies of proteins. Magn Reson Chem. 2004 Apr;42(4):369-72. doi: 10.1002/mrc.1356. [PubMed:15022197 ]