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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:45:58 UTC

HMDB ID

HMDB0001367

Secondary Accession Numbers

HMDB01367

Metabolite Identification

Common Name

N-Acetyl-glucosamine 1-phosphate

Description

N-Acetyl-glucosamine 1-phosphate, also known as glcnac-1-phosphate, belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. N-Acetyl-glucosamine 1-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). N-Acetyl-glucosamine 1-phosphate exists in all eukaryotes, ranging from yeast to humans. Within humans, N-acetyl-glucosamine 1-phosphate participates in a number of enzymatic reactions. In particular, N-acetyl-glucosamine 1-phosphate can be biosynthesized from N-acetyl-D-glucosamine 6-phosphate; which is mediated by the enzyme phosphoacetylglucosamine mutase. In addition, N-acetyl-glucosamine 1-phosphate and uridine triphosphate can be converted into uridine diphosphate-N-acetylglucosamine; which is catalyzed by the enzyme UDP-N-acetylhexosamine pyrophosphorylase. A N-acetyl-N-Acetyl-glucosamine 1-phosphate that is 2-deoxy-D-glucopyranose 1-(dihydrogen phosphate) substituted by an acetamido group at position 2. In humans, N-acetyl-glucosamine 1-phosphate is involved in the metabolic disorder called the salla disease/infantile sialic acid storage disease pathway.

Structure

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

HMDB0001367
     RDKit          3D
N-Acetyl-glucosamine 1-phosphate
 35 35  0  0  0  0  0  0  0  0999 V2000
    4.2533    0.0640    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160   -0.7044   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -1.9567   -0.2576 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7731   -0.0464   -0.1558 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.7267   -0.3059 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3320   -0.3637    0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1893    0.9972    1.1155 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    1.3679    2.5988 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.4651    2.2304    3.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9016    2.2736    2.3839 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8605    0.0061    3.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788   -0.6454    0.7331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1755    0.0723   -0.3608 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6793    0.0799   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2243   -1.1766   -0.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755   -0.5814   -1.5885 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2326   -0.2346   -2.7506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1186   -0.1780   -1.5945 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5764   -0.6455   -2.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680    0.4653    1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1160   -0.5928   -0.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2017    0.9292   -0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7096    1.0076   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633   -1.8259   -0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279   -0.9840    1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7617    2.8000    1.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5178    0.2383    4.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7786    1.1021   -0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790    0.7211   -1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167    0.6177    0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0558   -1.1128   -1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5889   -1.6978   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674   -1.0442   -3.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0766    0.9373   -1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -1.3928   -3.0736 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
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 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  0
 10 26  1  0
 11 27  1  0
 13 28  1  1
 14 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  1
 17 33  1  0
 18 34  1  1
 19 35  1  0
M  END


  Mrv0541 02231219052D          

 19 19  0  0  1  0            999 V2000
    0.0946   -0.6850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0946    0.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245   -1.0975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0596   -1.1127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245    0.5525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8061    0.5525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3397   -0.6850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6245   -1.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7712   -0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3397    0.1400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8061    1.3776    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0437   -1.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827   -1.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7673    0.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0437    0.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8061    2.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6311    1.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0151    1.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6719    0.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  6  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  1  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 15 19  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001367

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O

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

> <INCHI_KEY>
FZLJPEPAYPUMMR-RTRLPJTCSA-N

> <FORMULA>
C8H16NO9P

> <MOLECULAR_WEIGHT>
301.1877

> <EXACT_MASS>
301.056267627

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
25.406552682510437

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-2.00

> <JCHEM_LOGP>
-3.3441404429999997

> <ALOGPS_LOGS>
-1.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.238176832880029

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1819802553665197

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7889787416026043

> <JCHEM_POLAR_SURFACE_AREA>
165.78

> <JCHEM_REFRACTIVITY>
57.8976

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.84e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001367
     RDKit          3D
N-Acetyl-glucosamine 1-phosphate
 35 35  0  0  0  0  0  0  0  0999 V2000
    4.2533    0.0640    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160   -0.7044   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -1.9567   -0.2576 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7731   -0.0464   -0.1558 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.7267   -0.3059 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3320   -0.3637    0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1893    0.9972    1.1155 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    1.3679    2.5988 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.4651    2.2304    3.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9016    2.2736    2.3839 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8605    0.0061    3.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788   -0.6454    0.7331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1755    0.0723   -0.3608 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6793    0.0799   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2243   -1.1766   -0.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755   -0.5814   -1.5885 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2326   -0.2346   -2.7506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1186   -0.1780   -1.5945 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5764   -0.6455   -2.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680    0.4653    1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1160   -0.5928   -0.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2017    0.9292   -0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7096    1.0076   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633   -1.8259   -0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279   -0.9840    1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7617    2.8000    1.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5178    0.2383    4.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7786    1.1021   -0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790    0.7211   -1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167    0.6177    0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0558   -1.1128   -1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5889   -1.6978   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674   -1.0442   -3.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0766    0.9373   -1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -1.3928   -3.0736 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
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 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  0
 10 26  1  0
 11 27  1  0
 13 28  1  1
 14 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  1
 17 33  1  0
 18 34  1  1
 19 35  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       0.177  -1.279   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.177   0.261   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.166  -2.049   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       1.978  -2.077   0.000  0.00  0.00           N+0
HETATM    5  O   UNK     0      -1.166   1.031   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       1.505   1.031   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -2.501  -1.279   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.166  -3.582   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.306  -1.307   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.501   0.261   0.000  0.00  0.00           C+0
HETATM   11  P   UNK     0       1.505   2.572   0.000  0.00  0.00           P+0
HETATM   12  O   UNK     0      -3.815  -2.049   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.634  -2.077   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.299   0.226   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -3.815   1.031   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.505   4.105   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       3.045   2.572   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -0.028   2.572   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -4.988   0.035   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10                                                       
CONECT    6    2   11                                                       
CONECT    7    3   12   10                                                  
CONECT    8    3                                                            
CONECT    9    4   13   14                                                  
CONECT   10    5   15    7                                                  
CONECT   11    6   16   17   18                                             
CONECT   12    7                                                            
CONECT   13    9                                                            
CONECT   14    9                                                            
CONECT   15   10   19                                                       
CONECT   16   11                                                            
CONECT   17   11                                                            
CONECT   18   11                                                            
CONECT   19   15                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

COMPND    HMDB0001367
HETATM    1  C1  UNL     1       4.253   0.064   0.019  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.016  -0.704  -0.137  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.034  -1.957  -0.258  1.00  0.00           O  
HETATM    4  N1  UNL     1       1.773  -0.046  -0.156  1.00  0.00           N  
HETATM    5  C3  UNL     1       0.500  -0.727  -0.306  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.332  -0.364   0.898  1.00  0.00           C  
HETATM    7  O2  UNL     1      -0.189   0.997   1.116  1.00  0.00           O  
HETATM    8  P1  UNL     1       0.489   1.368   2.599  1.00  0.00           P  
HETATM    9  O3  UNL     1      -0.465   2.230   3.418  1.00  0.00           O  
HETATM   10  O4  UNL     1       1.902   2.274   2.384  1.00  0.00           O  
HETATM   11  O5  UNL     1       0.861   0.006   3.516  1.00  0.00           O  
HETATM   12  O6  UNL     1      -1.679  -0.645   0.733  1.00  0.00           O  
HETATM   13  C5  UNL     1      -2.175   0.072  -0.361  1.00  0.00           C  
HETATM   14  C6  UNL     1      -3.679   0.080  -0.397  1.00  0.00           C  
HETATM   15  O7  UNL     1      -4.224  -1.177  -0.487  1.00  0.00           O  
HETATM   16  C7  UNL     1      -1.575  -0.581  -1.589  1.00  0.00           C  
HETATM   17  O8  UNL     1      -2.233  -0.235  -2.751  1.00  0.00           O  
HETATM   18  C8  UNL     1      -0.119  -0.178  -1.594  1.00  0.00           C  
HETATM   19  O9  UNL     1       0.576  -0.646  -2.675  1.00  0.00           O  
HETATM   20  H1  UNL     1       4.368   0.465   1.045  1.00  0.00           H  
HETATM   21  H2  UNL     1       5.116  -0.593  -0.207  1.00  0.00           H  
HETATM   22  H3  UNL     1       4.202   0.929  -0.691  1.00  0.00           H  
HETATM   23  H4  UNL     1       1.710   1.008  -0.058  1.00  0.00           H  
HETATM   24  H5  UNL     1       0.663  -1.826  -0.402  1.00  0.00           H  
HETATM   25  H6  UNL     1       0.028  -0.984   1.745  1.00  0.00           H  
HETATM   26  H7  UNL     1       1.762   2.800   1.544  1.00  0.00           H  
HETATM   27  H8  UNL     1       1.518   0.238   4.211  1.00  0.00           H  
HETATM   28  H9  UNL     1      -1.779   1.102  -0.255  1.00  0.00           H  
HETATM   29  H10 UNL     1      -3.979   0.721  -1.252  1.00  0.00           H  
HETATM   30  H11 UNL     1      -4.017   0.618   0.520  1.00  0.00           H  
HETATM   31  H12 UNL     1      -5.056  -1.113  -1.057  1.00  0.00           H  
HETATM   32  H13 UNL     1      -1.589  -1.698  -1.438  1.00  0.00           H  
HETATM   33  H14 UNL     1      -2.667  -1.044  -3.116  1.00  0.00           H  
HETATM   34  H15 UNL     1      -0.077   0.937  -1.490  1.00  0.00           H  
HETATM   35  H16 UNL     1       0.063  -1.393  -3.074  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   12   25
CONECT    7    8
CONECT    8    9    9   10   11
CONECT   10   26
CONECT   11   27
CONECT   12   13
CONECT   13   14   16   28
CONECT   14   15   29   30
CONECT   15   31
CONECT   16   17   18   32
CONECT   17   33
CONECT   18   19   34
CONECT   19   35
END

HMDB0001367
     RDKit          3D
N-Acetyl-glucosamine 1-phosphate
 35 35  0  0  0  0  0  0  0  0999 V2000
    4.2533    0.0640    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160   -0.7044   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -1.9567   -0.2576 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7731   -0.0464   -0.1558 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.7267   -0.3059 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3320   -0.3637    0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1893    0.9972    1.1155 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4894    1.3679    2.5988 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.4651    2.2304    3.4177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9016    2.2736    2.3839 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8605    0.0061    3.5165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788   -0.6454    0.7331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1755    0.0723   -0.3608 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6793    0.0799   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2243   -1.1766   -0.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755   -0.5814   -1.5885 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2326   -0.2346   -2.7506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1186   -0.1780   -1.5945 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5764   -0.6455   -2.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680    0.4653    1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1160   -0.5928   -0.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2017    0.9292   -0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7096    1.0076   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633   -1.8259   -0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279   -0.9840    1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7617    2.8000    1.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5178    0.2383    4.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7786    1.1021   -0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790    0.7211   -1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167    0.6177    0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0558   -1.1128   -1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5889   -1.6978   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6674   -1.0442   -3.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0766    0.9373   -1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -1.3928   -3.0736 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
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 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  0
 10 26  1  0
 11 27  1  0
 13 28  1  1
 14 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  1
 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
2-(Acetylamino)-2-deoxy-D-glucopyranose 1-(dihydrogen phosphate)	ChEBI
2-Acetamido-2-deoxy-1-O-phosphono-D-glucopyranose	ChEBI
N-Acetyl-D-glucosamine 1-phosphate	ChEBI
N-Acetylglucosamine-1-phosphate	ChEBI
2-(Acetylamino)-2-deoxy-D-glucopyranose 1-(dihydrogen phosphoric acid)	Generator
N-Acetyl-D-glucosamine 1-phosphoric acid	Generator
N-Acetylglucosamine-1-phosphoric acid	Generator
N-Acetyl-glucosamine 1-phosphoric acid	Generator
D-Glucosamine 1-phosphate	HMDB
delta-Glucosamine 1-phosphate	HMDB
N-Acetyl-alpha-D-glucosamine 1-phosphate	HMDB
N-Acetyl-alpha-delta-glucosamine 1-phosphate	HMDB
N-Acetyl-delta-glucosamine 1-phosphate	HMDB
N-Acetyl-glucosamine-1-phosphate	HMDB
GlcNAc-1-phosphate	HMDB

Chemical Formula

C₈H₁₆NO₉P

Average Molecular Weight

301.1877

Monoisotopic Molecular Weight

301.056267627

IUPAC Name

{[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid

Traditional Name

[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid

CAS Registry Number

6866-69-9

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O

InChI Identifier

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

InChI Key

FZLJPEPAYPUMMR-RTRLPJTCSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acyl-alpha-hexosamines

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

N-acetyl-D-glucosamine 1-phosphate (CHEBI:7125 )

Ontology

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

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Not Available	156.418	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000389

Predicted Molecular Properties

Property	Value	Source
Water Solubility	18.4 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.3	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	1.18	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	25.41 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]+	168.426	31661259
DarkChem	[M-H]-	161.274	31661259
AllCCS	[M+H]+	165.314	32859911
AllCCS	[M-H]-	158.642	32859911
DeepCCS	[M+H]+	163.833	30932474
DeepCCS	[M-H]-	161.437	30932474
DeepCCS	[M-2H]-	194.562	30932474
DeepCCS	[M+Na]+	169.745	30932474
AllCCS	[M+H]+	165.3	32859911
AllCCS	[M+H-H2O]+	162.1	32859911
AllCCS	[M+NH4]+	168.3	32859911
AllCCS	[M+Na]+	169.1	32859911
AllCCS	[M-H]-	158.6	32859911
AllCCS	[M+Na-2H]-	158.8	32859911
AllCCS	[M+HCOO]-	159.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-Acetyl-glucosamine 1-phosphate	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O	3677.6	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O	2320.6	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O	2674.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-Acetyl-glucosamine 1-phosphate,1TMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2364.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,1TMS,isomer #2	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2360.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,1TMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	2340.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,1TMS,isomer #4	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2386.4	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,1TMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2355.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2329.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #10	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2396.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2388.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #2	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2352.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2361.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2373.9	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #5	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2341.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #6	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2367.2	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2357.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	2335.1	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2371.2	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2362.4	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #10	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	2397.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2358.9	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #12	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	2346.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #13	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2345.0	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #14	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2348.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #2	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2355.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #3	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2369.2	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #4	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2384.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2379.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #6	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	2398.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2364.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2357.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2365.4	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2399.2	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2436.0	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3117.2	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #10	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2398.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #10	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2517.8	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #10	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2992.4	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2357.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2545.5	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	3055.3	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2386.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2500.6	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3224.7	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2419.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2475.1	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2967.0	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2387.0	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2483.5	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3114.7	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #5	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2441.4	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #5	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2440.5	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #5	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2916.5	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #6	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2395.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #6	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2460.8	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #6	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	3060.6	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2411.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2485.9	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2935.9	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2414.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2486.4	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3074.9	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2384.4	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2504.9	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	3172.4	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2440.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2483.9	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2839.4	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2412.4	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2506.7	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2914.0	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #3	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2428.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #3	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2529.2	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #3	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2821.1	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2439.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2514.1	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2771.7	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2423.2	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2557.4	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2879.7	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,6TMS,isomer #1	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2481.0	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,6TMS,isomer #1	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2559.3	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,6TMS,isomer #1	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2714.5	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,1TBDMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2614.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,1TBDMS,isomer #2	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2606.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,1TBDMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2597.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,1TBDMS,isomer #4	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2644.0	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,1TBDMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2606.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2779.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #10	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2864.9	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2826.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #2	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2789.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2821.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2798.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #5	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2785.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #6	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2829.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	2786.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2819.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,2TBDMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2784.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O)O[C@H](CO[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	2998.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #10	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3053.2	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3007.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #12	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3039.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #13	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2989.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #14	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3008.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #2	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3029.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #3	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[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	3001.2	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #4	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3025.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO)[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	3013.0	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #6	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3053.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3010.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3024.7	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,3TBDMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[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	2985.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3225.9	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3155.1	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3391.9	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #10	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3231.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #10	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3225.9	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #10	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3295.2	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3193.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3250.4	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #11	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3354.0	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[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	3231.4	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[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	3254.8	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O)O[C@H](CO[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	3465.2	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3254.4	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3166.0	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #3	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3290.8	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3218.2	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3216.7	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3384.7	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #5	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3248.8	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #5	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3128.4	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #5	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3242.2	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #6	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[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	3231.6	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #6	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[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	3196.8	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #6	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[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	3338.0	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3229.3	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3179.2	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #7	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3256.6	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3247.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3183.1	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #8	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3370.2	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3210.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3252.2	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,4TBDMS,isomer #9	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3418.6	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3450.9	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3298.3	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #1	CC(=O)N[C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3255.9	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3426.4	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3367.2	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #2	CC(=O)N([C@H]1C(OP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3301.0	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #3	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3405.2	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #3	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3351.1	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #3	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3243.3	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[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	3406.1	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[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	3341.3	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #4	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO)[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	3203.5	Standard polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3410.5	Semi standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3392.8	Standard non polar	33892256
N-Acetyl-glucosamine 1-phosphate,5TBDMS,isomer #5	CC(=O)N([C@H]1C(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CO[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	3273.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetyl-glucosamine 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-007k-9230000000-37cdd3ef185356d03c19	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetyl-glucosamine 1-phosphate GC-MS (3 TMS) - 70eV, Positive	splash10-0f6t-9211240000-817e06893a2ccced098b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetyl-glucosamine 1-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-Acetyl-glucosamine 1-phosphate 10V, Positive-QTOF	splash10-0udi-1094000000-f1e04aaf05d431b8b0ab	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 20V, Positive-QTOF	splash10-0f7k-6290000000-6ff96a8c8bf54d5e8bfa	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 40V, Positive-QTOF	splash10-0f6t-9620000000-3e2ee2ffc3801abdb7da	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 10V, Negative-QTOF	splash10-002s-9211000000-7f3631860a58ca188060	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 20V, Negative-QTOF	splash10-004i-9110000000-9614f2b717f8fb17cc08	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-1a4f6aa02a49053d5b95	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 10V, Positive-QTOF	splash10-0udi-0269000000-3075b429edd6182c13ba	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 20V, Positive-QTOF	splash10-0udi-0559000000-4ca1cd5a6e65977c0024	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 40V, Positive-QTOF	splash10-0fk9-6900000000-1cb673f71135d27b87a1	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 10V, Negative-QTOF	splash10-0udi-1019000000-7dfe9f6a1a82e9cc6643	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 20V, Negative-QTOF	splash10-004i-9021000000-405c928cec60fc405bdb	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-glucosamine 1-phosphate 40V, Negative-QTOF	splash10-004j-9000000000-5c37c1fa0342ac32c556	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Saliva

Tissue Locations

Placenta

Pathways

Name	SMPDB/PathBank	KEGG
Amino Sugar Metabolism
Sialuria or French Type Sialuria		Not Available
Salla Disease/Infantile Sialic Acid Storage Disease		Not Available
Tay-Sachs Disease		Not Available
G(M2)-Gangliosidosis: Variant B, Tay-sachs disease		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Saliva	Detected and Quantified	0.135 +/- 0.363 uM	Adult (>18 years old)	Male	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.251 +/- 0.167 uM	Adult (>18 years old)	Female	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.282 +/- 0.623 uM	Adult (>18 years old)	Not Specified	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.326 +/- 0.327 uM	Adult (>18 years old)	Not Specified	Normal	Sugimoto et al. (...	details

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

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

N-ACETYL-D-GLUCOSAMINE-1-P

BiGG ID

43457

Wikipedia Link

Not Available

METLIN ID

6194

PubChem Compound

440272

PDB ID

Not Available

ChEBI ID

7125

Food Biomarker Ontology

Not Available

VMH ID

ACGAM1P

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

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 ]

Enzymes

Enzyme Details

1. UDP-N-acetylhexosamine pyrophosphorylase

General function:: Involved in nucleotidyltransferase activity
Specific function:: Converts UDP and GlcNAc-1-P into UDP-GlcNAc, and UDP and GalNAc-1-P into UDP-GalNAc. Isoform AGX1 has 2 to 3 times higher activity towards GalNAc-1-P, while isoform AGX2 has 8 times more activity towards GlcNAc-1-P.
Gene Name:: UAP1
Uniprot ID:: Q16222
Molecular weight:: 57027.91

Reactions

Uridine triphosphate + N-Acetyl-glucosamine 1-phosphate → Pyrophosphate + Uridine diphosphate-N-acetylglucosamine	details

Enzyme Details

2. Phosphoacetylglucosamine mutase

General function:: Involved in intramolecular transferase activity, phosphotransferases
Specific function:: Interconverts GlcNAc-6-P and GlcNAc-1-P.
Gene Name:: PGM3
Uniprot ID:: O95394
Molecular weight:: 62940.905

Reactions

N-Acetyl-glucosamine 1-phosphate → N-Acetyl-D-Glucosamine 6-Phosphate	details
N-Acetyl-D-Glucosamine 6-Phosphate → N-Acetyl-glucosamine 1-phosphate	details

Enzyme Details

3. UDP-N-acetylhexosamine pyrophosphorylase-like protein 1

General function:: Not Available
Specific function:: Not Available
Gene Name:: UAP1L1
Uniprot ID:: Q3KQV9
Molecular weight:: Not Available

Reactions

Uridine triphosphate + N-Acetyl-glucosamine 1-phosphate → Pyrophosphate + Uridine diphosphate-N-acetylglucosamine	details

Showing metabocard for N-Acetyl-glucosamine 1-phosphate (HMDB0001367)

MOL for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

3D MOL for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

3D SDF for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

3D-SDF for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

PDB for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

3D PDB for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

SMILES for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

INCHI for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

Structure for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

3D Structure for HMDB0001367 (N-Acetyl-glucosamine 1-phosphate)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions

Reactions