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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-05-22 15:12:12 UTC

Update Date

2021-09-14 15:46:06 UTC

HMDB ID

HMDB0002817

Secondary Accession Numbers

HMDB02817

Metabolite Identification

Common Name

N-Acetylglucosamine 6-phosphate

Description

N-Acetylglucosamine 6-phosphate (CAS: 1746-32-3), also known as GlcNAc6P, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through an N-acyl group. Outside of the human body, N-acetylglucosamine 6-phosphate has been detected, but not quantified in, several different foods, such as butternut squash, breakfast cereals, babassu palms, vaccinium (blueberry, cranberry, huckleberry), and cauliflowers. This could make N-acetylglucosamine 6-phosphate a potential biomarker for the consumption of these foods. N-Acetylglucosamine 6-phosphate has been identified in the human placenta (PMID: 32033212 ).

Structure

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

HMDB0002817
     RDKit          3D
N-Acetylglucosamine 6-phosphate
 35 35  0  0  0  0  0  0  0  0999 V2000
   -5.2699    0.2557    0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    0.5284    0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    1.7167    0.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8896   -0.5042    0.3097 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632   -0.3365    0.2025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7151   -0.9500    1.3605 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5169   -2.3070    1.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624   -0.3595    1.3408 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437   -0.8894    0.2547 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6324   -0.2847    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    1.1054    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1061    1.7851    0.1256 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.0342    0.8338    0.8693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6819    2.0757   -1.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0958    3.2394    0.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5960   -0.5499   -1.0617 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1900   -1.3291   -2.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8915   -0.9145   -1.0582 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4632   -0.4230   -2.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4099   -0.3695    1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6643   -0.3599   -0.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8773    1.1542    0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298   -1.4998    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2636    0.7541    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202   -0.7801    2.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3734   -2.7964    1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2901   -1.9807    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2661   -0.7364   -0.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -0.5137    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6240    1.7958   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    3.3259    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213    0.5057   -1.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7441   -2.2098   -2.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -2.0355   -1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9864    0.4238   -2.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
  9 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18  5  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  4 23  1  0
  5 24  1  6
  6 25  1  1
  7 26  1  0
  9 27  1  1
 10 28  1  0
 10 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  6
 17 33  1  0
 18 34  1  1
 19 35  1  0
M  END

Untitled Document-8
  Mrv0541 02231219352D          

 19 19  0  0  0  0            999 V2000
   -0.3572    0.4678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3572   -0.3572    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3572   -0.7697    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0717   -0.3572    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717    0.4678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3572    0.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.5947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.7697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.8803    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881    1.5947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    1.2928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9131    0.1658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  3  8  1  1  0  0  0
  2  9  1  6  0  0  0
  4 10  1  6  0  0  0
  5 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002817

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1

> <INCHI_KEY>
BRGMHAYQAZFZDJ-PVFLNQBWSA-N

> <FORMULA>
C8H16NO9P

> <MOLECULAR_WEIGHT>
301.1877

> <EXACT_MASS>
301.056267627

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
25.689768584275207

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-2.02

> <JCHEM_LOGP>
-3.3441404429999997

> <ALOGPS_LOGS>
-1.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.248988545780628

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2274470828963118

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7858520307052878

> <JCHEM_POLAR_SURFACE_AREA>
165.78

> <JCHEM_REFRACTIVITY>
57.8976

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.76e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002817
     RDKit          3D
N-Acetylglucosamine 6-phosphate
 35 35  0  0  0  0  0  0  0  0999 V2000
   -5.2699    0.2557    0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    0.5284    0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    1.7167    0.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8896   -0.5042    0.3097 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632   -0.3365    0.2025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7151   -0.9500    1.3605 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5169   -2.3070    1.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624   -0.3595    1.3408 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437   -0.8894    0.2547 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6324   -0.2847    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    1.1054    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1061    1.7851    0.1256 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.0342    0.8338    0.8693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6819    2.0757   -1.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0958    3.2394    0.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5960   -0.5499   -1.0617 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1900   -1.3291   -2.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8915   -0.9145   -1.0582 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4632   -0.4230   -2.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4099   -0.3695    1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6643   -0.3599   -0.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8773    1.1542    0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298   -1.4998    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2636    0.7541    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202   -0.7801    2.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3734   -2.7964    1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2901   -1.9807    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2661   -0.7364   -0.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -0.5137    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6240    1.7958   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    3.3259    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213    0.5057   -1.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7441   -2.2098   -2.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -2.0355   -1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9864    0.4238   -2.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
  9 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18  5  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  4 23  1  0
  5 24  1  6
  6 25  1  1
  7 26  1  0
  9 27  1  1
 10 28  1  0
 10 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  6
 17 33  1  0
 18 34  1  1
 19 35  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Untitled Document-8                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -0.667   0.873   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.667  -0.667   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.667  -1.437   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.001  -0.667   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.001   0.873   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.667   1.643   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -2.001   1.643   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.667  -2.977   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -2.001  -1.437   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       3.334  -1.437   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0       3.334   1.643   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.668  -0.667   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.002  -1.437   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.668   0.873   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -3.334   0.873   0.000  0.00  0.00           O+0
HETATM   16  P   UNK     0      -4.668   1.643   0.000  0.00  0.00           P+0
HETATM   17  O   UNK     0      -3.898   2.977   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -6.002   2.413   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -5.438   0.309   0.000  0.00  0.00           O+0
CONECT    1    2    6    7                                                  
CONECT    2    1    3    9                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6   11                                                  
CONECT    6    5    1                                                       
CONECT    7    1   15                                                       
CONECT    8    3                                                            
CONECT    9    2                                                            
CONECT   10    4   12                                                       
CONECT   11    5                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    7   16                                                       
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

COMPND    HMDB0002817
HETATM    1  C1  UNL     1      -5.270   0.256   0.494  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.823   0.528   0.386  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.432   1.717   0.362  1.00  0.00           O  
HETATM    4  N1  UNL     1      -2.890  -0.504   0.310  1.00  0.00           N  
HETATM    5  C3  UNL     1      -1.463  -0.336   0.203  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.715  -0.950   1.360  1.00  0.00           C  
HETATM    7  O2  UNL     1      -0.517  -2.307   1.108  1.00  0.00           O  
HETATM    8  O3  UNL     1       0.562  -0.359   1.341  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.244  -0.889   0.255  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.632  -0.285   0.248  1.00  0.00           C  
HETATM   11  O4  UNL     1       2.579   1.105   0.134  1.00  0.00           O  
HETATM   12  P1  UNL     1       4.106   1.785   0.126  1.00  0.00           P  
HETATM   13  O5  UNL     1       5.034   0.834   0.869  1.00  0.00           O  
HETATM   14  O6  UNL     1       4.682   2.076  -1.443  1.00  0.00           O  
HETATM   15  O7  UNL     1       4.096   3.239   0.950  1.00  0.00           O  
HETATM   16  C7  UNL     1       0.596  -0.550  -1.062  1.00  0.00           C  
HETATM   17  O8  UNL     1       1.190  -1.329  -2.053  1.00  0.00           O  
HETATM   18  C8  UNL     1      -0.892  -0.914  -1.058  1.00  0.00           C  
HETATM   19  O9  UNL     1      -1.463  -0.423  -2.212  1.00  0.00           O  
HETATM   20  H1  UNL     1      -5.410  -0.369   1.422  1.00  0.00           H  
HETATM   21  H2  UNL     1      -5.664  -0.360  -0.340  1.00  0.00           H  
HETATM   22  H3  UNL     1      -5.877   1.154   0.637  1.00  0.00           H  
HETATM   23  H4  UNL     1      -3.230  -1.500   0.330  1.00  0.00           H  
HETATM   24  H5  UNL     1      -1.264   0.754   0.193  1.00  0.00           H  
HETATM   25  H6  UNL     1      -1.220  -0.780   2.329  1.00  0.00           H  
HETATM   26  H7  UNL     1      -1.373  -2.796   1.001  1.00  0.00           H  
HETATM   27  H8  UNL     1       1.290  -1.981   0.358  1.00  0.00           H  
HETATM   28  H9  UNL     1       3.266  -0.736  -0.539  1.00  0.00           H  
HETATM   29  H10 UNL     1       3.119  -0.514   1.215  1.00  0.00           H  
HETATM   30  H11 UNL     1       5.624   1.796  -1.556  1.00  0.00           H  
HETATM   31  H12 UNL     1       4.916   3.326   1.514  1.00  0.00           H  
HETATM   32  H13 UNL     1       0.721   0.506  -1.356  1.00  0.00           H  
HETATM   33  H14 UNL     1       0.744  -2.210  -2.026  1.00  0.00           H  
HETATM   34  H15 UNL     1      -0.913  -2.036  -1.052  1.00  0.00           H  
HETATM   35  H16 UNL     1      -0.986   0.424  -2.448  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3    3    4
CONECT    4    5   23
CONECT    5    6   18   24
CONECT    6    7    8   25
CONECT    7   26
CONECT    8    9
CONECT    9   10   16   27
CONECT   10   11   28   29
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   30
CONECT   15   31
CONECT   16   17   18   32
CONECT   17   33
CONECT   18   19   34
CONECT   19   35
END

HMDB0002817
     RDKit          3D
N-Acetylglucosamine 6-phosphate
 35 35  0  0  0  0  0  0  0  0999 V2000
   -5.2699    0.2557    0.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    0.5284    0.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    1.7167    0.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8896   -0.5042    0.3097 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632   -0.3365    0.2025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7151   -0.9500    1.3605 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5169   -2.3070    1.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624   -0.3595    1.3408 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437   -0.8894    0.2547 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6324   -0.2847    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    1.1054    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1061    1.7851    0.1256 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.0342    0.8338    0.8693 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6819    2.0757   -1.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0958    3.2394    0.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5960   -0.5499   -1.0617 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1900   -1.3291   -2.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8915   -0.9145   -1.0582 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4632   -0.4230   -2.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4099   -0.3695    1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6643   -0.3599   -0.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8773    1.1542    0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298   -1.4998    0.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2636    0.7541    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202   -0.7801    2.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3734   -2.7964    1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2901   -1.9807    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2661   -0.7364   -0.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -0.5137    1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6240    1.7958   -1.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    3.3259    1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7213    0.5057   -1.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7441   -2.2098   -2.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -2.0355   -1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9864    0.4238   -2.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
  9 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18  5  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  4 23  1  0
  5 24  1  6
  6 25  1  1
  7 26  1  0
  9 27  1  1
 10 28  1  0
 10 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  6
 17 33  1  0
 18 34  1  1
 19 35  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N-Acetylglucosamine 6-phosphoric acid	Generator
GlcNAc6p	MeSH
2-Acetamido-2-deoxy-D-glucose 6-phosphate	HMDB
GlcNAc-6-P	HMDB
N-Acetyl-D-glucosamine 6-phosphate	HMDB
N-Acetylglucosamine 6-phosphate	HMDB

Chemical Formula

C₈H₁₆NO₉P

Average Molecular Weight

301.1877

Monoisotopic Molecular Weight

301.056267627

IUPAC Name

{[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}phosphonic acid

Traditional Name

[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxyphosphonic acid

CAS Registry Number

73495-11-1

SMILES

CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1

InChI Key

BRGMHAYQAZFZDJ-PVFLNQBWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Acylaminosugars

Alternative Parents

Substituents

Acylaminosugar
Hexose phosphate
N-acyl-alpha-hexosamine
Monosaccharide phosphate
Monoalkyl phosphate
Monosaccharide
Organic phosphoric acid derivative
Alkyl phosphate
Oxane
Phosphoric acid ester
Acetamide
1,2-diol
Carboxamide group
Hemiacetal
Secondary carboxylic acid amide
Secondary alcohol
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Alcohol
Organic nitrogen compound
Organonitrogen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

amino sugar (CHEBI:49359 )

Ontology

Not Available

Placenta (HMDB: HMDB0002817)

Cellular substructure

Cytoplasm (HMDB: HMDB0002817)

Source

Endogenous

Endogenous (HMDB: HMDB0002817)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Not Available

Role

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	17.6 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.3	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	1.23	ChemAxon
pKa (Strongest Basic)	-0.79	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	165.78 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	57.9 m³·mol⁻¹	ChemAxon
Polarizability	25.69 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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]+	172.2	31661259
DarkChem	[M-H]-	164.336	31661259
DeepCCS	[M+H]+	159.027	30932474
DeepCCS	[M-H]-	156.631	30932474
DeepCCS	[M-2H]-	191.216	30932474
DeepCCS	[M+Na]+	166.438	30932474
AllCCS	[M+H]+	165.1	32859911
AllCCS	[M+H-H2O]+	161.9	32859911
AllCCS	[M+NH4]+	168.1	32859911
AllCCS	[M+Na]+	168.9	32859911
AllCCS	[M-H]-	160.0	32859911
AllCCS	[M+Na-2H]-	160.2	32859911
AllCCS	[M+HCOO]-	160.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-Acetylglucosamine 6-phosphate	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	3870.4	Standard polar	33892256
N-Acetylglucosamine 6-phosphate	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	2162.9	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O	2711.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-Acetylglucosamine 6-phosphate,1TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	2339.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,1TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2367.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,1TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2351.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,1TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2425.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,1TMS,isomer #5	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2358.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2317.2	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #10	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2447.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2426.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2320.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2371.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2329.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2355.3	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #6	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2418.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #7	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2353.3	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2410.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2344.3	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2332.2	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #10	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2463.9	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2411.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #12	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2450.6	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #13	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2397.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #14	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2408.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2404.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2344.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2402.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #5	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2363.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2400.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2359.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2427.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2362.2	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2427.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2447.8	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3166.4	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #10	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2462.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #10	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2538.2	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #10	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2945.9	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2452.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2530.5	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2968.9	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2388.3	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2521.2	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3296.9	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2472.3	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2494.6	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3020.9	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2421.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2510.9	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	3121.2	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2467.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2488.1	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2980.8	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2433.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2498.2	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3133.1	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2403.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2542.9	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3024.6	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2487.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2507.0	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3016.2	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2434.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2500.0	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3128.0	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2477.9	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2501.0	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2865.4	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2470.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2511.7	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2932.6	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2468.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2545.5	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2805.4	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2478.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2532.6	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2827.4	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #5	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2479.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #5	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2539.4	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TMS,isomer #5	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2813.4	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,6TMS,isomer #1	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2525.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,6TMS,isomer #1	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2552.6	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,6TMS,isomer #1	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2716.6	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,1TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	2554.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,1TBDMS,isomer #2	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2621.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,1TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2591.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,1TBDMS,isomer #4	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2680.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,1TBDMS,isomer #5	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2601.6	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2750.2	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #10	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2919.3	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2858.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2755.6	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2816.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2741.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #5	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2783.3	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #6	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2866.6	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #7	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	2789.2	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2851.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,2TBDMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2771.6	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2985.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #10	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3123.2	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3050.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #12	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3101.2	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #13	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3028.9	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #14	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3071.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #2	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3042.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	2978.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #4	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3022.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #5	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2978.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #6	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O	3078.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2989.6	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3063.2	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,3TBDMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2995.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3241.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3189.4	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3417.9	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #10	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3277.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #10	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3260.1	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #10	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3262.1	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3254.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3242.6	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #11	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3286.7	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3214.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3272.0	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3509.8	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3301.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3199.5	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #3	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3319.0	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3225.8	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3259.1	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3378.3	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3271.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3189.3	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #5	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3297.9	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3220.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3231.8	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #6	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3391.3	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3221.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3243.9	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #7	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3324.9	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3308.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3229.0	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #8	CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3314.9	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3249.4	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3258.3	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,4TBDMS,isomer #9	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3387.8	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3485.9	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3327.1	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #1	CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C(C)(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](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3263.6	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3435.5	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3385.5	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #2	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3311.5	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(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](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3432.7	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(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](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3391.2	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #3	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(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](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3221.4	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3421.1	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3360.7	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #4	CC(=O)N([C@H]1[C@@H](O[Si](C)(C)C(C)(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](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3248.2	Standard polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #5	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3449.0	Semi standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #5	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3390.3	Standard non polar	33892256
N-Acetylglucosamine 6-phosphate,5TBDMS,isomer #5	CC(=O)N([C@H]1[C@@H](O)O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3230.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylglucosamine 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-000t-9740000000-cab3a2db3c6cb3b55bda	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylglucosamine 6-phosphate GC-MS (3 TMS) - 70eV, Positive	splash10-0udi-7193580000-44b694ca09ff0a67ccf0	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylglucosamine 6-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylglucosamine 6-phosphate 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 - N-Acetylglucosamine 6-phosphate 10V, Positive-QTOF	splash10-0udi-2196000000-8aa0b82454ed7fe1de1b	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 20V, Positive-QTOF	splash10-0w2a-4591000000-dca968a4092f312565ac	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 40V, Positive-QTOF	splash10-03dm-6900000000-933daf9b2c351b0a86b6	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 10V, Negative-QTOF	splash10-0v00-5931000000-4a813f2d6d4480fc5e41	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 20V, Negative-QTOF	splash10-004i-9100000000-8cdef6bcf81376fb24e2	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-a998778a46bb52c7223a	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 10V, Positive-QTOF	splash10-0udi-0393000000-d1dd3875fcda98185905	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 20V, Positive-QTOF	splash10-0udi-2692000000-6d48d468a379d10f1080	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 40V, Positive-QTOF	splash10-000t-9200000000-ceb982e51eab41177ff3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 10V, Negative-QTOF	splash10-0f92-9034000000-ec11d92a6d8dc4228cbe	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 20V, Negative-QTOF	splash10-004i-9010000000-499ace1dadd3a5590458	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylglucosamine 6-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-4bf2b9a14f4e1c8fc62a	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Not Available

Tissue Locations

Placenta

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

FDB023067

KNApSAcK ID

Not Available

Chemspider ID

388358

KEGG Compound ID

Not Available

BioCyc ID

N-ACETYL-D-GLUCOSAMINE-6-P

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

3429

PubChem Compound

439219

PDB ID

16G

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Maley, Frank; Lardy, Henry A. Phosphoric esters of biological importance. VI. The synthesis of D-glucosamine 6-phosphate and N-acetyl-D-glucosamine 6-phosphate. Journal of the American Chemical Society (1956), 78 1393-7.

Material Safety Data Sheet (MSDS)

Not Available

General References

Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for N-Acetylglucosamine 6-phosphate (HMDB0002817)

MOL for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

3D MOL for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

3D SDF for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

3D-SDF for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

PDB for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

3D PDB for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

SMILES for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

INCHI for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

Structure for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

3D Structure for HMDB0002817 (N-Acetylglucosamine 6-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra