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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-10-30 10:32:48 UTC

Update Date

2022-03-07 03:17:33 UTC

HMDB ID

HMDB0059600

Secondary Accession Numbers

HMDB59600

Metabolite Identification

Common Name

5-phosphonooxy-L-lysine

Description

5-phosphonooxy-L-lysine 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. 5-phosphonooxy-L-lysine is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0059600
     RDKit          3D
5-phosphonooxy-L-lysine
 30 29  0  0  0  0  0  0  0  0999 V2000
    2.0332    2.5771    0.0473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8027    1.8167   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0835    0.3539   -0.3467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2144   -0.3708   -0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -0.1978    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -0.9639    0.3495 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0984   -0.4581   -0.8411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3067   -0.7317    1.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128   -1.1009    2.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5197   -0.1222    1.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9281    0.1570   -1.4539 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516   -0.6248   -1.0095 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.4806    0.3699   -1.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6887   -1.9435   -2.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158   -1.1206    0.6011 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694    2.2091    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.5814    0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2787    2.1948   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1911    1.9545    0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -0.0676    0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6905    0.1106   -1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580   -1.4390   -0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    0.8808    0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846   -0.5333    1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2094   -2.0325    0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053   -0.9926   -1.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1361   -0.6379   -0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7625    0.7052    1.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006   -2.7651   -1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0060   -0.8085    1.0922 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  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  1
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  6
  7 26  1  0
  7 27  1  0
 10 28  1  0
 14 29  1  0
 15 30  1  0
M  END


  Mrv0541 10301209472D          

 17 16  0  0  0  0            999 V2000
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059   -0.5230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    0.7145    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  5  8  1  1  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
  4 14  1  1  0  0  0
 15 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 13  2  0  0  0  0
 15 14  1  0  0  0  0
  4 16  1  1  0  0  0
  5 17  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0059600

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5+/m1/s1

> <INCHI_KEY>
WLPXLNNUXMDSPG-UHNVWZDZSA-N

> <FORMULA>
C6H15N2O6P

> <MOLECULAR_WEIGHT>
242.1669

> <EXACT_MASS>
242.066772734

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
20.957799150970843

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,5R)-2,6-diamino-5-(phosphonooxy)hexanoic acid

> <ALOGPS_LOGP>
-2.69

> <JCHEM_LOGP>
-7.85271855397847

> <ALOGPS_LOGS>
-1.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.3455956305978742

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4261745851922187

> <JCHEM_PKA_STRONGEST_BASIC>
10.166150316987487

> <JCHEM_POLAR_SURFACE_AREA>
156.1

> <JCHEM_REFRACTIVITY>
50.0439

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.52e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
O-phosphohydroxy-L-lysine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0059600
     RDKit          3D
5-phosphonooxy-L-lysine
 30 29  0  0  0  0  0  0  0  0999 V2000
    2.0332    2.5771    0.0473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8027    1.8167   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0835    0.3539   -0.3467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2144   -0.3708   -0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -0.1978    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -0.9639    0.3495 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0984   -0.4581   -0.8411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3067   -0.7317    1.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128   -1.1009    2.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5197   -0.1222    1.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9281    0.1570   -1.4539 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516   -0.6248   -1.0095 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.4806    0.3699   -1.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6887   -1.9435   -2.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158   -1.1206    0.6011 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694    2.2091    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.5814    0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2787    2.1948   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1911    1.9545    0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -0.0676    0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6905    0.1106   -1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580   -1.4390   -0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    0.8808    0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846   -0.5333    1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2094   -2.0325    0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053   -0.9926   -1.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1361   -0.6379   -0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7625    0.7052    1.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006   -2.7651   -1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0060   -0.8085    1.0922 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  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  1
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  6
  7 26  1  0
  7 27  1  0
 10 28  1  0
 14 29  1  0
 15 30  1  0
M  END

HEADER    PROTEIN                                 30-OCT-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-OCT-12         0                                  
HETATM    1  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.357  -0.206   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.357   1.334   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -1.691  -0.976   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0       3.644   3.644   0.000  0.00  0.00           N+0
HETATM    9  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -4.358   0.564   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -3.795   2.667   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -2.255   0.000   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -1.691   2.104   0.000  0.00  0.00           O+0
HETATM   15  P   UNK     0      -3.025   1.334   0.000  0.00  0.00           P+0
HETATM   16  H   UNK     0       0.976   0.564   0.000  0.00  0.00           H+0
HETATM   17  H   UNK     0       3.644   0.564   0.000  0.00  0.00           H+0
CONECT    1    2    4                                                       
CONECT    2    1    5                                                       
CONECT    3    4    7                                                       
CONECT    4    1    3   14   16                                             
CONECT    5    2    6    8   17                                             
CONECT    6    5    9   10                                                  
CONECT    7    3                                                            
CONECT    8    5                                                            
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11   15                                                            
CONECT   12   15                                                            
CONECT   13   15                                                            
CONECT   14    4   15                                                       
CONECT   15   11   12   13   14                                             
CONECT   16    4                                                            
CONECT   17    5                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END

COMPND    HMDB0059600
HETATM    1  N1  UNL     1       2.033   2.577   0.047  1.00  0.00           N  
HETATM    2  C1  UNL     1       0.803   1.817  -0.155  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.084   0.354  -0.347  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.214  -0.371  -0.589  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.134  -0.198   0.587  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.443  -0.964   0.349  1.00  0.00           C  
HETATM    7  N2  UNL     1      -3.098  -0.458  -0.841  1.00  0.00           N  
HETATM    8  C6  UNL     1      -3.307  -0.732   1.526  1.00  0.00           C  
HETATM    9  O1  UNL     1      -2.913  -1.101   2.653  1.00  0.00           O  
HETATM   10  O2  UNL     1      -4.520  -0.122   1.389  1.00  0.00           O  
HETATM   11  O3  UNL     1       1.928   0.157  -1.454  1.00  0.00           O  
HETATM   12  P1  UNL     1       3.352  -0.625  -1.009  1.00  0.00           P  
HETATM   13  O4  UNL     1       4.481   0.370  -1.168  1.00  0.00           O  
HETATM   14  O5  UNL     1       3.689  -1.944  -2.008  1.00  0.00           O  
HETATM   15  O6  UNL     1       3.216  -1.121   0.601  1.00  0.00           O  
HETATM   16  H1  UNL     1       2.569   2.209   0.853  1.00  0.00           H  
HETATM   17  H2  UNL     1       1.779   3.581   0.176  1.00  0.00           H  
HETATM   18  H3  UNL     1       0.279   2.195  -1.040  1.00  0.00           H  
HETATM   19  H4  UNL     1       0.191   1.954   0.764  1.00  0.00           H  
HETATM   20  H5  UNL     1       1.595  -0.068   0.534  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.691   0.111  -1.491  1.00  0.00           H  
HETATM   22  H7  UNL     1      -0.058  -1.439  -0.844  1.00  0.00           H  
HETATM   23  H8  UNL     1      -1.429   0.881   0.672  1.00  0.00           H  
HETATM   24  H9  UNL     1      -0.685  -0.533   1.533  1.00  0.00           H  
HETATM   25  H10 UNL     1      -2.209  -2.033   0.215  1.00  0.00           H  
HETATM   26  H11 UNL     1      -2.805  -0.993  -1.701  1.00  0.00           H  
HETATM   27  H12 UNL     1      -4.136  -0.638  -0.698  1.00  0.00           H  
HETATM   28  H13 UNL     1      -4.762   0.705   1.910  1.00  0.00           H  
HETATM   29  H14 UNL     1       3.401  -2.765  -1.555  1.00  0.00           H  
HETATM   30  H15 UNL     1       4.006  -0.808   1.092  1.00  0.00           H  
CONECT    1    2   16   17
CONECT    2    3   18   19
CONECT    3    4   11   20
CONECT    4    5   21   22
CONECT    5    6   23   24
CONECT    6    7    8   25
CONECT    7   26   27
CONECT    8    9    9   10
CONECT   10   28
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   29
CONECT   15   30
END

HMDB0059600
     RDKit          3D
5-phosphonooxy-L-lysine
 30 29  0  0  0  0  0  0  0  0999 V2000
    2.0332    2.5771    0.0473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8027    1.8167   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0835    0.3539   -0.3467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2144   -0.3708   -0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -0.1978    0.5867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -0.9639    0.3495 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0984   -0.4581   -0.8411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3067   -0.7317    1.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128   -1.1009    2.6530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5197   -0.1222    1.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9281    0.1570   -1.4539 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516   -0.6248   -1.0095 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.4806    0.3699   -1.1677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6887   -1.9435   -2.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158   -1.1206    0.6011 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694    2.2091    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.5814    0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2787    2.1948   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1911    1.9545    0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -0.0676    0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6905    0.1106   -1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580   -1.4390   -0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    0.8808    0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846   -0.5333    1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2094   -2.0325    0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053   -0.9926   -1.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1361   -0.6379   -0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7625    0.7052    1.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006   -2.7651   -1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0060   -0.8085    1.0922 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  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  1
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  6
  7 26  1  0
  7 27  1  0
 10 28  1  0
 14 29  1  0
 15 30  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
O-Phosphohydroxy-L-lysine	ChEBI
(5R)-5-Phosphooxy-L-lysine	Kegg
(5R)-5-Phosphonooxy-L-lysine	Kegg
5-Phosphonooxy-L-lysine	ChEBI

Chemical Formula

C₆H₁₅N₂O₆P

Average Molecular Weight

242.1669

Monoisotopic Molecular Weight

242.066772734

IUPAC Name

(2S,5R)-2,6-diamino-5-(phosphonooxy)hexanoic acid

Traditional Name

O-phosphohydroxy-L-lysine

CAS Registry Number

Not Available

SMILES

[H][C@](N)(CC[C@]([H])(CN)OP(O)(O)=O)C(O)=O

InChI Identifier

InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5+/m1/s1

InChI Key

WLPXLNNUXMDSPG-UHNVWZDZSA-N

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.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Phosphoethanolamine
Medium-chain fatty acid
Amino fatty acid
Monoalkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Fatty acyl
Fatty acid
Alkyl phosphate
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Amine
Primary aliphatic amine
Carbonyl group
Organic nitrogen compound
Primary amine
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

non-proteinogenic L-alpha-amino acid (CHEBI:16752 )
L-lysine derivative (CHEBI:16752 )
O-phosphoamino acid (CHEBI:16752 )

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	15.2 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-7.9	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	1.43	ChemAxon
pKa (Strongest Basic)	10.17	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	156.1 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	50.04 m³·mol⁻¹	ChemAxon
Polarizability	20.96 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	154.846	31661259
DarkChem	[M-H]-	150.66	31661259
DeepCCS	[M+H]+	142.742	30932474
DeepCCS	[M-H]-	140.419	30932474
DeepCCS	[M-2H]-	173.658	30932474
DeepCCS	[M+Na]+	148.715	30932474
AllCCS	[M+H]+	152.1	32859911
AllCCS	[M+H-H2O]+	148.7	32859911
AllCCS	[M+NH4]+	155.3	32859911
AllCCS	[M+Na]+	156.2	32859911
AllCCS	[M-H]-	145.4	32859911
AllCCS	[M+Na-2H]-	146.3	32859911
AllCCS	[M+HCOO]-	147.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
5-phosphonooxy-L-lysine	[H][C@](N)(CC[C@]([H])(CN)OP(O)(O)=O)C(O)=O	2494.7	Standard polar	33892256
5-phosphonooxy-L-lysine	[H][C@](N)(CC[C@]([H])(CN)OP(O)(O)=O)C(O)=O	2063.9	Standard non polar	33892256
5-phosphonooxy-L-lysine	[H][C@](N)(CC[C@]([H])(CN)OP(O)(O)=O)C(O)=O	2408.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
5-phosphonooxy-L-lysine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O)O	2187.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,1TMS,isomer #2	C[Si](C)(C)OP(=O)(O)O[C@@H](CN)CC[C@H](N)C(=O)O	2260.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O	2302.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,1TMS,isomer #4	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O	2316.1	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C	2198.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C	2162.8	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2222.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2191.8	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #3	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C)OP(=O)(O)O	2239.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #3	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C)OP(=O)(O)O	2249.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #4	C[Si](C)(C)OP(=O)(O[C@@H](CN)CC[C@H](N)C(=O)O)O[Si](C)(C)C	2256.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #4	C[Si](C)(C)OP(=O)(O[C@@H](CN)CC[C@H](N)C(=O)O)O[Si](C)(C)C	2151.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #5	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O[Si](C)(C)C	2299.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #5	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O[Si](C)(C)C	2222.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2297.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2217.4	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #7	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O)OP(=O)(O)O	2326.0	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #7	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O)OP(=O)(O)O	2287.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #8	C[Si](C)(C)N([C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O)[Si](C)(C)C	2385.3	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #8	C[Si](C)(C)N([C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O)[Si](C)(C)C	2265.5	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #9	C[Si](C)(C)N(C[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O)[Si](C)(C)C	2447.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TMS,isomer #9	C[Si](C)(C)N(C[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O)[Si](C)(C)C	2323.4	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2201.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2211.1	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)O[C@H](CC[C@H](N)C(=O)O)CN([Si](C)(C)C)[Si](C)(C)C	2450.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)O[C@H](CC[C@H](N)C(=O)O)CN([Si](C)(C)C)[Si](C)(C)C	2367.3	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #11	C[Si](C)(C)OP(=O)(O)O[C@@H](CN)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2381.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #11	C[Si](C)(C)OP(=O)(O)O[C@@H](CN)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2340.1	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O)C(=O)O	2492.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O)C(=O)O	2423.0	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #13	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O	2427.7	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #13	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O	2420.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2253.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2266.5	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #3	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2255.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #3	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2309.8	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #4	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)OP(=O)(O)O	2268.7	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #4	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)OP(=O)(O)O	2345.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C	2359.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C	2319.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O	2421.0	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O	2376.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #7	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2300.3	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #7	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2303.9	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2318.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #8	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2284.9	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #9	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O)OP(=O)(O)O[Si](C)(C)C	2348.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TMS,isomer #9	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O)OP(=O)(O)O[Si](C)(C)C	2350.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2270.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2327.0	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #10	C[Si](C)(C)OP(=O)(O[C@@H](CN)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2396.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #10	C[Si](C)(C)OP(=O)(O[C@@H](CN)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2402.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2485.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O	2439.9	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #12	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2415.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #12	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2464.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #13	C[Si](C)(C)N(C[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O)[Si](C)(C)C	2618.3	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #13	C[Si](C)(C)N(C[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O)[Si](C)(C)C	2556.1	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #2	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2259.1	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #2	C[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2354.8	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #3	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2308.1	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #3	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2390.1	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2374.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2387.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2438.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2410.0	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2445.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C	2451.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #7	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O	2382.7	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #7	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O	2462.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #8	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2382.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #8	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2428.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #9	C[Si](C)(C)OP(=O)(O[C@H](CC[C@H](N)C(=O)O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2453.0	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TMS,isomer #9	C[Si](C)(C)OP(=O)(O[C@H](CC[C@H](N)C(=O)O)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2408.1	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #1	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2329.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #1	C[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2445.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2385.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2434.9	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2441.1	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2446.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2486.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2459.0	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #5	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2410.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #5	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	2477.8	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C	2637.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C	2568.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2524.0	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2483.9	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #8	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2425.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #8	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2513.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #9	C[Si](C)(C)OP(=O)(O)O[C@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)CN([Si](C)(C)C)[Si](C)(C)C	2646.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TMS,isomer #9	C[Si](C)(C)OP(=O)(O)O[C@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)CN([Si](C)(C)C)[Si](C)(C)C	2557.9	Standard non polar	33892256
5-phosphonooxy-L-lysine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2490.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2502.3	Standard non polar	33892256
5-phosphonooxy-L-lysine,6TMS,isomer #2	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2426.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,6TMS,isomer #2	C[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2518.4	Standard non polar	33892256
5-phosphonooxy-L-lysine,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2660.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2555.9	Standard non polar	33892256
5-phosphonooxy-L-lysine,6TMS,isomer #4	C[Si](C)(C)OP(=O)(O[C@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2670.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,6TMS,isomer #4	C[Si](C)(C)OP(=O)(O[C@H](CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2586.8	Standard non polar	33892256
5-phosphonooxy-L-lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2693.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC[C@H](CN([Si](C)(C)C)[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2589.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O)O	2438.0	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H](CN)CC[C@H](N)C(=O)O	2482.1	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O	2530.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O	2545.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2651.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2568.5	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C	2672.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C	2600.5	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	2691.3	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	2661.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H](CN)CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C	2697.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H](CN)CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C	2543.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2736.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2658.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O	2723.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O	2614.5	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)OP(=O)(O)O	2763.3	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)OP(=O)(O)O	2672.5	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N([C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2825.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N([C@@H](CC[C@H](CN)OP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C	2652.3	Standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O)[Si](C)(C)C(C)(C)C	2857.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O)O)[Si](C)(C)C(C)(C)C	2699.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2858.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2739.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H](CC[C@H](N)C(=O)O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3073.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H](CC[C@H](N)C(=O)O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2914.4	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H](CN)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3040.1	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H](CN)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2847.4	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(=O)O	3127.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(=O)O	2958.0	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3081.7	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O	2949.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2900.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2795.3	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2921.0	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2850.3	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	2918.3	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	2891.9	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3016.2	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2884.2	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3045.7	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O	2940.4	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2959.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2828.3	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2957.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2781.9	Standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2999.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	2877.1	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3097.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2939.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H](CN)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3278.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H](CN)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2991.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O	3362.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O	3096.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3322.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3097.8	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[Si](C)(C)C(C)(C)C	3436.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O)[Si](C)(C)C(C)(C)C	3207.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3119.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2979.3	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3152.7	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3040.0	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3247.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3035.5	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3275.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3075.4	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C	3309.6	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C	3138.5	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3283.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3141.6	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3224.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3015.3	Standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H](CC[C@H](N)C(=O)O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3295.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H](CC[C@H](N)C(=O)O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3041.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3376.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3153.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3453.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[C@H](CN)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3164.4	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3475.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3183.8	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3538.8	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3248.7	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3506.9	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	3258.4	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3659.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3376.8	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3572.4	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC[C@H](CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3205.3	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3533.7	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC[C@@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3213.5	Standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3668.5	Semi standard non polar	33892256
5-phosphonooxy-L-lysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H](CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3313.7	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phosphonooxy-L-lysine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9200000000-9edc0a4d409c21f1ef78	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phosphonooxy-L-lysine GC-MS (1 TMS) - 70eV, Positive	splash10-0002-8910000000-11092ecd67d30285c8dc	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phosphonooxy-L-lysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-phosphonooxy-L-lysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 10V, Positive-QTOF	splash10-0002-3900000000-e5a19da476f9785e856e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 20V, Positive-QTOF	splash10-0002-5900000000-828487f9f2477234a806	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 40V, Positive-QTOF	splash10-0002-9100000000-42fa79015cbe1a5f4ffd	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 10V, Negative-QTOF	splash10-0007-5090000000-a45e03b2e9a61eef8c57	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 20V, Negative-QTOF	splash10-004i-9320000000-f0e172ff89c16109e929	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 40V, Negative-QTOF	splash10-004i-9000000000-9eb34a6727b5ff5a12f7	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 10V, Positive-QTOF	splash10-004i-0090000000-edcd27c076bb7e8e30a8	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 20V, Positive-QTOF	splash10-004j-2900000000-6e62b3c85c3582413007	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 40V, Positive-QTOF	splash10-0a4i-9000000000-e5ddff90b2e46b5fd04d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 10V, Negative-QTOF	splash10-0002-9020000000-e38af2e605d0fdc363a0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 20V, Negative-QTOF	splash10-004m-9040000000-7a39fdbf84fc60a76e21	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-phosphonooxy-L-lysine 40V, Negative-QTOF	splash10-004i-9000000000-886f13031f45f6f99280	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C03366

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25163995

PDB ID

Not Available

ChEBI ID

16752

Food Biomarker Ontology

Not Available

VMH ID

M03167

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. 5-phosphohydroxy-L-lysine phospho-lyase

General function:: Involved in transaminase activity
Specific function:: Catalyzes the pyridoxal-phosphate-dependent breakdown of 5-phosphohydroxy-L-lysine, converting it to ammonia, inorganic phosphate and 2-aminoadipate semialdehyde.
Gene Name:: AGXT2L2
Uniprot ID:: Q8IUZ5
Molecular weight:: 49710.245

Reactions

5-phosphonooxy-L-lysine + Water → Allysine + Ammonia + Phosphate	details

Enzyme Details

2. Hydroxylysine kinase

General function:: Not Available
Specific function:: Catalyzes the GTP-dependent phosphorylation of 5-hydroxy-L-lysine.
Gene Name:: AGPHD1
Uniprot ID:: A2RU49
Molecular weight:: 41932.82

Reactions

Guanosine triphosphate + 5-Hydroxylysine → Guanosine diphosphate + 5-phosphonooxy-L-lysine	details

Showing metabocard for 5-phosphonooxy-L-lysine (HMDB0059600)

MOL for HMDB0059600 (5-phosphonooxy-L-lysine)

3D MOL for HMDB0059600 (5-phosphonooxy-L-lysine)

3D SDF for HMDB0059600 (5-phosphonooxy-L-lysine)

3D-SDF for HMDB0059600 (5-phosphonooxy-L-lysine)

PDB for HMDB0059600 (5-phosphonooxy-L-lysine)

3D PDB for HMDB0059600 (5-phosphonooxy-L-lysine)

SMILES for HMDB0059600 (5-phosphonooxy-L-lysine)

INCHI for HMDB0059600 (5-phosphonooxy-L-lysine)

Structure for HMDB0059600 (5-phosphonooxy-L-lysine)

3D Structure for HMDB0059600 (5-phosphonooxy-L-lysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions