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Showing metabocard for O-Phospho-4-hydroxy-L-threonine (HMDB0006802)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-08-12 13:15:45 UTC
Update Date2021-09-14 15:39:04 UTC
HMDB IDHMDB0006802
Secondary Accession Numbers
  • HMDB06802
Metabolite Identification
Common NameO-Phospho-4-hydroxy-L-threonine
DescriptionO-Phospho-4-hydroxy-L-threonine, also known as 4-(phosphonooxy)-threonine, 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-Phospho-4-hydroxy-L-threonine is a very strong basic compound (based on its pKa). O-Phospho-4-hydroxy-L-threonine exists in all living species, ranging from bacteria to humans.
Structure
Data?1582752406
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0006802 (O-Phospho-4-hydroxy-L-threonine)


  Mrv1652309042000322D          

 13 12  0  0  1  0            999 V2000
   19.3189   -4.4276    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   18.6044   -4.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1754   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0319   -4.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7464   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0334   -4.8401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7314   -3.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9064   -5.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4609   -5.2526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1754   -4.0151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4609   -4.4276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.8898   -4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7464   -4.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 12  1  0  0  0  0
 10  3  1  6  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
 11  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0006802 (O-Phospho-4-hydroxy-L-threonine)

HMDB0006802
     RDKit          3D
O-Phospho-4-hydroxy-L-threonine
 23 22  0  0  0  0  0  0  0  0999 V2000
    1.4168    1.6315    0.6168 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4800    0.1910    0.5368 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8881   -0.2152    0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8284    0.6164    0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311   -1.5554    0.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494   -0.2609   -0.6262 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1537    0.3047   -1.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130    0.0877   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056   -0.4840    0.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9406   -0.0631    0.8702 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.0478    1.4369    0.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5438   -0.5795    2.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8022   -0.8122   -0.3818 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.0989   -0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567    1.9530    1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904   -0.2253    1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002   -1.9381    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6981   -1.3632   -0.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7376    1.1766   -1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717    1.1839   -0.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919   -0.2672   -1.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8481   -1.5258    2.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2278   -1.3909   -0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  1
  5 17  1  0
  6 18  1  6
  7 19  1  0
  8 20  1  0
  8 21  1  0
 12 22  1  0
 13 23  1  0
M  END
Download

3D SDF for HMDB0006802 (O-Phospho-4-hydroxy-L-threonine)


  Mrv1652309042000322D          

 13 12  0  0  1  0            999 V2000
   19.3189   -4.4276    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   18.6044   -4.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1754   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0319   -4.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7464   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0334   -4.8401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7314   -3.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9064   -5.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4609   -5.2526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1754   -4.0151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4609   -4.4276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.8898   -4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7464   -4.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 12  1  0  0  0  0
 10  3  1  6  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
 11  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006802

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1

> <INCHI_KEY>
FKHAKIJOKDGEII-GBXIJSLDSA-N

> <FORMULA>
C4H10NO7P

> <MOLECULAR_WEIGHT>
215.0985

> <EXACT_MASS>
215.019488191

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
16.597838646165975

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S)-2-amino-3-hydroxy-4-(phosphonooxy)butanoic acid

> <ALOGPS_LOGP>
-2.40

> <JCHEM_LOGP>
-3.876164191197906

> <ALOGPS_LOGS>
-0.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.0740868709070774

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.313786360081051

> <JCHEM_PKA_STRONGEST_BASIC>
8.926715134721942

> <JCHEM_POLAR_SURFACE_AREA>
150.31

> <JCHEM_REFRACTIVITY>
38.876400000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.27e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(phosphonooxy)-L-threonine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0006802 (O-Phospho-4-hydroxy-L-threonine)

HMDB0006802
     RDKit          3D
O-Phospho-4-hydroxy-L-threonine
 23 22  0  0  0  0  0  0  0  0999 V2000
    1.4168    1.6315    0.6168 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4800    0.1910    0.5368 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8881   -0.2152    0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8284    0.6164    0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311   -1.5554    0.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494   -0.2609   -0.6262 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1537    0.3047   -1.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130    0.0877   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056   -0.4840    0.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9406   -0.0631    0.8702 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.0478    1.4369    0.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5438   -0.5795    2.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8022   -0.8122   -0.3818 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.0989   -0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567    1.9530    1.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904   -0.2253    1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002   -1.9381    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6981   -1.3632   -0.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7376    1.1766   -1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717    1.1839   -0.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919   -0.2672   -1.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8481   -1.5258    2.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2278   -1.3909   -0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  2  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 10 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  1
  5 17  1  0
  6 18  1  6
  7 19  1  0
  8 20  1  0
  8 21  1  0
 12 22  1  0
 13 23  1  0
M  END
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PDB for HMDB0006802 (O-Phospho-4-hydroxy-L-threonine)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  P   UNK     0      36.062  -8.265   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      34.728  -7.495   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      32.061  -5.955   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      28.060  -8.265   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      29.393  -5.955   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      37.396  -9.035   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      36.832  -6.931   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      35.292  -9.598   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      30.727  -9.805   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      32.061  -7.495   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      30.727  -8.265   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      33.394  -8.265   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      29.393  -7.495   0.000  0.00  0.00           C+0
CONECT    1    2    6    7    8                                             
CONECT    2    1   12                                                       
CONECT    3   10                                                            
CONECT    4   13                                                            
CONECT    5   13                                                            
CONECT    6    1                                                            
CONECT    7    1                                                            
CONECT    8    1                                                            
CONECT    9   11                                                            
CONECT   10    3   11   12                                                  
CONECT   11    9   10   13                                                  
CONECT   12    2   10                                                       
CONECT   13    4    5   11                                                  
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for HMDB0006802 (O-Phospho-4-hydroxy-L-threonine)

COMPND    HMDB0006802
HETATM    1  N1  UNL     1       1.417   1.632   0.617  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.480   0.191   0.537  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.888  -0.215   0.351  1.00  0.00           C  
HETATM    4  O1  UNL     1       3.828   0.616   0.282  1.00  0.00           O  
HETATM    5  O2  UNL     1       3.231  -1.555   0.243  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.649  -0.261  -0.626  1.00  0.00           C  
HETATM    7  O3  UNL     1       1.154   0.305  -1.793  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.813   0.088  -0.449  1.00  0.00           C  
HETATM    9  O4  UNL     1      -1.306  -0.484   0.722  1.00  0.00           O  
HETATM   10  P1  UNL     1      -2.941  -0.063   0.870  1.00  0.00           P  
HETATM   11  O5  UNL     1      -3.048   1.437   0.684  1.00  0.00           O  
HETATM   12  O6  UNL     1      -3.544  -0.579   2.339  1.00  0.00           O  
HETATM   13  O7  UNL     1      -3.802  -0.812  -0.382  1.00  0.00           O  
HETATM   14  H1  UNL     1       1.962   2.099  -0.127  1.00  0.00           H  
HETATM   15  H2  UNL     1       1.657   1.953   1.576  1.00  0.00           H  
HETATM   16  H3  UNL     1       1.090  -0.225   1.493  1.00  0.00           H  
HETATM   17  H4  UNL     1       4.100  -1.938   0.555  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.698  -1.363  -0.750  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.738   1.177  -1.940  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.972   1.184  -0.351  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.392  -0.267  -1.324  1.00  0.00           H  
HETATM   22  H9  UNL     1      -3.848  -1.526   2.232  1.00  0.00           H  
HETATM   23  H10 UNL     1      -3.228  -1.391  -0.929  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3    6   16
CONECT    3    4    4    5
CONECT    5   17
CONECT    6    7    8   18
CONECT    7   19
CONECT    8    9   20   21
CONECT    9   10
CONECT   10   11   11   12   13
CONECT   12   22
CONECT   13   23
END
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SMILES for HMDB0006802 (O-Phospho-4-hydroxy-L-threonine)

N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O
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INCHI for HMDB0006802 (O-Phospho-4-hydroxy-L-threonine)

InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
4-(Phosphonooxy)-threonineChEBI
4-(Phosphonooxy)-L-threonineKegg
4-Phosphooxy-L-threonineKegg
4-Phosphonooxy-L-threonineHMDB
4-Phospho-hydroxy-threonineHMDB
4-(Phosphohydroxy)-L-threonineHMDB
4-PhosphohydroxythreonineHMDB
4-PhosphothreonineHMDB
Chemical FormulaC4H10NO7P
Average Molecular Weight215.0985
Monoisotopic Molecular Weight215.019488191
IUPAC Name(2S,3S)-2-amino-3-hydroxy-4-(phosphonooxy)butanoic acid
Traditional Name4-(phosphonooxy)-L-threonine
CAS Registry NumberNot Available
SMILES
N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O
InChI Identifier
InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1
InChI KeyFKHAKIJOKDGEII-GBXIJSLDSA-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Monoalkyl phosphate
  • Hydroxy acid
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acid
  • Amino acid
  • Secondary alcohol
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Amine
  • Organooxygen compound
  • Organonitrogen compound
  • Primary amine
  • Primary aliphatic amine
  • Alcohol
  • Organic oxygen compound
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
Process
Naturally occurring process
Role
Industrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility22.7 g/LALOGPS
logP-2.4ALOGPS
logP-3.9ChemAxon
logS-0.98ALOGPS
pKa (Strongest Acidic)1.31ChemAxon
pKa (Strongest Basic)8.93ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area150.31 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity38.88 m³·mol⁻¹ChemAxon
Polarizability16.6 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+145.74731661259
DarkChem[M-H]-140.1931661259
DeepCCS[M+H]+140.16830932474
DeepCCS[M-H]-137.77330932474
DeepCCS[M-2H]-171.29630932474
DeepCCS[M+Na]+146.08130932474
AllCCS[M+H]+146.332859911
AllCCS[M+H-H2O]+142.732859911
AllCCS[M+NH4]+149.632859911
AllCCS[M+Na]+150.532859911
AllCCS[M-H]-136.532859911
AllCCS[M+Na-2H]-137.732859911
AllCCS[M+HCOO]-139.232859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.0.88 minutes32390414
Predicted by Siyang on May 30, 20229.8637 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20229.74 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid547.0 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid427.8 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid353.2 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid19.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid227.0 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid137.0 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid315.1 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid222.9 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)1071.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid598.9 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid45.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid641.0 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid220.4 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid425.6 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate961.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA636.9 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water570.9 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
O-Phospho-4-hydroxy-L-threonineN[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O2563.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonineN[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O1768.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonineN[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O2207.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
O-Phospho-4-hydroxy-L-threonine,1TMS,isomer #1C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@H](N)C(=O)O1906.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O)O1892.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@H](N)C(=O)O1956.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O)O1978.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O)O[Si](C)(C)C1899.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #2C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@H](N)C(=O)O1945.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #3C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C1954.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O)O[Si](C)(C)C1946.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #5C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O)O1950.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #6C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@H](N)C(=O)O)O[Si](C)(C)C1975.5Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #7C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O)O[Si](C)(C)C2023.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TMS,isomer #8C[Si](C)(C)N([C@H](C(=O)O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C2042.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C1967.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2005.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2968.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2119.5Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2071.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #10C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2729.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C1962.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2044.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C2979.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](N)C(=O)O1994.6Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](N)C(=O)O2007.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](N)C(=O)O2961.7Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2029.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2015.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2767.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2079.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2130.0Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3030.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1978.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2040.3Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2914.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #7C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2024.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #7C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2025.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #7C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C2718.5Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2054.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2141.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2997.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #9C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2071.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #9C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2020.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TMS,isomer #9C[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2551.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2019.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2051.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2704.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2034.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2059.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #2C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C2518.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2100.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2190.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2759.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2089.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2074.0Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #4C[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2408.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2138.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2144.0Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #5C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2591.1Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #6C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2084.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #6C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2082.1Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #6C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2373.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2125.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2144.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #7C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2563.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #8C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2156.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #8C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2143.1Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TMS,isomer #8C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2405.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #1C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2092.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #1C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2106.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #1C[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2259.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2147.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2162.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #2C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2432.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2148.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2184.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #3C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2317.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2160.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2180.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2308.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2174.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2202.5Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2246.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@H](N)C(=O)O2154.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O)O2150.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@H](N)C(=O)O2192.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O)O2211.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2348.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)O2377.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2361.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2380.6Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O2378.6Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C2420.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2443.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N([C@H](C(=O)O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C2524.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2604.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2598.5Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3111.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2784.2Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2670.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2939.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2582.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C2636.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C3128.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)O2628.8Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)O2557.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](N)C(=O)O3101.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2639.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2589.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2969.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2724.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2716.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3153.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2607.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2601.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3073.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2649.5Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2610.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C2932.1Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2722.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2724.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3129.6Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2696.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2565.5Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2813.1Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2825.1Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2723.1Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2948.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2849.0Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2759.4Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2851.0Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2933.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2910.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2984.2Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2891.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2715.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@H](C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2768.8Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2997.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2847.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2863.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2881.6Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2738.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2753.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2981.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2866.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2852.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[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)C3032.7Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[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)C2814.2Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H](O)[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)C2747.9Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3087.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2887.7Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2750.7Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(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)C3198.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(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)C3018.8Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(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)C2830.7Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3234.4Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2966.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2749.4Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=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)C3205.3Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=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)C2984.6Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@H](O)COP(=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)C2753.3Standard polar33892256
O-Phospho-4-hydroxy-L-threonine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)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)C3412.9Semi standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)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)C3152.9Standard non polar33892256
O-Phospho-4-hydroxy-L-threonine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]([C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)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)C2805.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - O-Phospho-4-hydroxy-L-threonine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9200000000-a8f91387710592709ff82016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phospho-4-hydroxy-L-threonine GC-MS (2 TMS) - 70eV, Positivesplash10-01ow-9711000000-89a880807057686a60b12017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - O-Phospho-4-hydroxy-L-threonine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 10V, Positive-QTOFsplash10-00r2-2920000000-c23edaafe01dd32ccd6a2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 20V, Positive-QTOFsplash10-00di-9600000000-fd8c6ec273c259b6d6932015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 40V, Positive-QTOFsplash10-00di-9300000000-42e18773c2868e50da832015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 10V, Negative-QTOFsplash10-03mj-9850000000-0cd651cd24395dbae4a12015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 20V, Negative-QTOFsplash10-004i-9100000000-a925d7c6b56522b6d34b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 40V, Negative-QTOFsplash10-004i-9000000000-5c41cf86b2bcca5178682015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 10V, Positive-QTOFsplash10-014i-2590000000-a9146bba129194b49abb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 20V, Positive-QTOFsplash10-00di-9200000000-e8dbc889a8d9573cd3962021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 40V, Positive-QTOFsplash10-001j-9000000000-9eec4757ad69989237c02021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 10V, Negative-QTOFsplash10-01ta-9030000000-a684f48886db0724b48e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 20V, Negative-QTOFsplash10-004i-9000000000-177256aadc387d9ad2362021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - O-Phospho-4-hydroxy-L-threonine 40V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB02609
Phenol Explorer Compound IDNot Available
FooDB IDFDB024088
KNApSAcK IDNot Available
Chemspider ID389731
KEGG Compound IDC06055
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440901
PDB IDNot Available
ChEBI ID18336
Food Biomarker OntologyNot Available
VMH IDPHTHR
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. Phosphoserine aminotransferase
General function:
Involved in metabolic process
Specific function:
Catalyzes the reversible conversion of 3-phosphohydroxypyruvate to phosphoserine and of 3-hydroxy-2-oxo-4-phosphonooxybutanoate to phosphohydroxythreonine (By similarity).
Gene Name:
PSAT1
Uniprot ID:
Q9Y617
Molecular weight:
35188.305
Reactions
O-Phospho-4-hydroxy-L-threonine + Oxoglutaric acid → 2-Oxo-3-hydroxy-4-phosphobutanoic acid + Glutamic aciddetails