Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-05-23 11:15:42 UTC

Update Date

2021-09-14 15:45:58 UTC

HMDB ID

HMDB0006480

Secondary Accession Numbers

HMDB06480

Metabolite Identification

Common Name

N-Acetyl-D-galactosamine 1-phosphate

Description

N-Acetyl-D-galactosamine 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-D-galactosamine 1-phosphate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make N-acetyl-D-galactosamine 1-phosphate a potential biomarker for the consumption of these foods. N-Acetyl-D-galactosamine 1-phosphate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on N-Acetyl-D-galactosamine 1-phosphate.

Structure

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

HMDB0006480
     RDKit          3D
N-Acetyl-D-galactosamine 1-phosphate
 35 35  0  0  0  0  0  0  0  0999 V2000
    4.4909    0.0639    0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    0.0430    0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    0.4428    1.9095 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0197   -0.3844   -0.1007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6539   -0.3842    0.3145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2411    0.4314   -0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163    1.4520   -1.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432    2.9836   -0.7382 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.1604    3.9444   -1.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641    3.4941   -1.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480    3.1444    0.9507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -0.3310   -1.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -1.1957   -0.9752 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2005   -0.6668   -0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334    0.4778   -0.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -1.7339    0.3689 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6857   -0.9114    1.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642   -1.8339    0.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6573   -2.5202    1.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396   -0.3528   -0.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8146    1.1277    0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662   -0.4728    1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2366   -0.7156   -1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060   -0.0174    1.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478    0.9317    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1223    2.9424   -1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760    3.2645    1.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8461   -2.0965   -1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6563   -0.5501   -1.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8107   -1.4681   -0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7682    0.3279    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209   -2.7332    0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1012   -0.9663    2.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142   -2.3096   -0.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9254   -3.4276    1.1330 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  1
  6 25  1  0
 10 26  1  0
 11 27  1  0
 13 28  1  6
 14 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  1
 17 33  1  0
 18 34  1  6
 19 35  1  0
M  END

  Mrv0541 02231220402D          

 19 19  0  0  1  0            999 V2000
   21.8282  -11.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8282  -12.2891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1137  -11.0516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1137  -12.7016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.3993  -11.4641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.3993  -12.2891    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.5427  -11.0516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5427  -12.7016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1137  -13.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6848  -12.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6848  -11.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9703  -11.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5427  -13.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2571  -13.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8282  -13.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5427   -9.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3677  -10.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7177  -10.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5427  -10.2266    0.0000 P   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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  5 11  1  1  0  0  0
 12 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
  8 13  1  0  0  0  0
 18 19  2  0  0  0  0
 17 19  1  0  0  0  0
 16 19  1  0  0  0  0
  7 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006480

> <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-KEWYIRBNSA-N

> <FORMULA>
C8H16NO9P

> <MOLECULAR_WEIGHT>
301.1877

> <EXACT_MASS>
301.056267627

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
25.464379632663622

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(3R,4R,5R,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>
165.77999999999997

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006480
     RDKit          3D
N-Acetyl-D-galactosamine 1-phosphate
 35 35  0  0  0  0  0  0  0  0999 V2000
    4.4909    0.0639    0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    0.0430    0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    0.4428    1.9095 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0197   -0.3844   -0.1007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6539   -0.3842    0.3145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2411    0.4314   -0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163    1.4520   -1.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432    2.9836   -0.7382 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.1604    3.9444   -1.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641    3.4941   -1.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480    3.1444    0.9507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -0.3310   -1.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -1.1957   -0.9752 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2005   -0.6668   -0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334    0.4778   -0.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -1.7339    0.3689 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6857   -0.9114    1.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642   -1.8339    0.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6573   -2.5202    1.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396   -0.3528   -0.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8146    1.1277    0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662   -0.4728    1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2366   -0.7156   -1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060   -0.0174    1.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478    0.9317    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1223    2.9424   -1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760    3.2645    1.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8461   -2.0965   -1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6563   -0.5501   -1.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8107   -1.4681   -0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7682    0.3279    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209   -2.7332    0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1012   -0.9663    2.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142   -2.3096   -0.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9254   -3.4276    1.1330 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  1
  6 25  1  0
 10 26  1  0
 11 27  1  0
 13 28  1  6
 14 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  1
 17 33  1  0
 18 34  1  6
 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      40.746 -21.400   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      40.746 -22.940   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      39.412 -20.630   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      39.412 -23.710   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      38.079 -21.400   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      38.079 -22.940   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      42.080 -20.630   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      42.080 -23.710   0.000  0.00  0.00           N+0
HETATM    9  O   UNK     0      39.412 -25.250   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      36.745 -23.710   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      36.745 -20.630   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      35.411 -21.400   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      42.080 -25.250   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      43.413 -26.020   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      40.746 -26.020   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      42.080 -17.550   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      43.620 -19.090   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      40.540 -19.090   0.000  0.00  0.00           O+0
HETATM   19  P   UNK     0      42.080 -19.090   0.000  0.00  0.00           P+0
CONECT    1    2    3    7                                                  
CONECT    2    1    4    8                                                  
CONECT    3    1    5                                                       
CONECT    4    2    6    9                                                  
CONECT    5    3    6   11                                                  
CONECT    6    4    5   10                                                  
CONECT    7    1   19                                                       
CONECT    8    2   13                                                       
CONECT    9    4                                                            
CONECT   10    6                                                            
CONECT   11    5   12                                                       
CONECT   12   11                                                            
CONECT   13   14   15    8                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   19                                                            
CONECT   17   19                                                            
CONECT   18   19                                                            
CONECT   19   18   17   16    7                                             
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

COMPND    HMDB0006480
HETATM    1  C1  UNL     1       4.491   0.064   0.365  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.079   0.043   0.736  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.785   0.443   1.909  1.00  0.00           O  
HETATM    4  N1  UNL     1       2.020  -0.384  -0.101  1.00  0.00           N  
HETATM    5  C3  UNL     1       0.654  -0.384   0.314  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.241   0.431  -0.595  1.00  0.00           C  
HETATM    7  O2  UNL     1       0.516   1.452  -1.127  1.00  0.00           O  
HETATM    8  P1  UNL     1       0.043   2.984  -0.738  1.00  0.00           P  
HETATM    9  O3  UNL     1       1.160   3.944  -1.135  1.00  0.00           O  
HETATM   10  O4  UNL     1      -1.364   3.494  -1.484  1.00  0.00           O  
HETATM   11  O5  UNL     1      -0.148   3.144   0.951  1.00  0.00           O  
HETATM   12  O6  UNL     1      -0.897  -0.331  -1.541  1.00  0.00           O  
HETATM   13  C5  UNL     1      -1.791  -1.196  -0.975  1.00  0.00           C  
HETATM   14  C6  UNL     1      -3.200  -0.667  -0.892  1.00  0.00           C  
HETATM   15  O7  UNL     1      -3.333   0.478  -0.156  1.00  0.00           O  
HETATM   16  C7  UNL     1      -1.362  -1.734   0.369  1.00  0.00           C  
HETATM   17  O8  UNL     1      -1.686  -0.911   1.419  1.00  0.00           O  
HETATM   18  C8  UNL     1       0.164  -1.834   0.323  1.00  0.00           C  
HETATM   19  O9  UNL     1       0.657  -2.520   1.424  1.00  0.00           O  
HETATM   20  H1  UNL     1       4.640  -0.353  -0.669  1.00  0.00           H  
HETATM   21  H2  UNL     1       4.815   1.128   0.307  1.00  0.00           H  
HETATM   22  H3  UNL     1       5.166  -0.473   1.022  1.00  0.00           H  
HETATM   23  H4  UNL     1       2.237  -0.716  -1.065  1.00  0.00           H  
HETATM   24  H5  UNL     1       0.506  -0.017   1.350  1.00  0.00           H  
HETATM   25  H6  UNL     1      -1.048   0.932   0.013  1.00  0.00           H  
HETATM   26  H7  UNL     1      -2.122   2.942  -1.239  1.00  0.00           H  
HETATM   27  H8  UNL     1      -1.076   3.265   1.211  1.00  0.00           H  
HETATM   28  H9  UNL     1      -1.846  -2.096  -1.657  1.00  0.00           H  
HETATM   29  H10 UNL     1      -3.656  -0.550  -1.904  1.00  0.00           H  
HETATM   30  H11 UNL     1      -3.811  -1.468  -0.393  1.00  0.00           H  
HETATM   31  H12 UNL     1      -3.768   0.328   0.744  1.00  0.00           H  
HETATM   32  H13 UNL     1      -1.821  -2.733   0.528  1.00  0.00           H  
HETATM   33  H14 UNL     1      -1.101  -0.966   2.191  1.00  0.00           H  
HETATM   34  H15 UNL     1       0.414  -2.310  -0.641  1.00  0.00           H  
HETATM   35  H16 UNL     1       0.925  -3.428   1.133  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

HMDB0006480
     RDKit          3D
N-Acetyl-D-galactosamine 1-phosphate
 35 35  0  0  0  0  0  0  0  0999 V2000
    4.4909    0.0639    0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    0.0430    0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    0.4428    1.9095 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0197   -0.3844   -0.1007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6539   -0.3842    0.3145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2411    0.4314   -0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163    1.4520   -1.1266 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432    2.9836   -0.7382 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.1604    3.9444   -1.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641    3.4941   -1.4844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480    3.1444    0.9507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -0.3310   -1.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914   -1.1957   -0.9752 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2005   -0.6668   -0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334    0.4778   -0.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -1.7339    0.3689 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6857   -0.9114    1.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642   -1.8339    0.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6573   -2.5202    1.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396   -0.3528   -0.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8146    1.1277    0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662   -0.4728    1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2366   -0.7156   -1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060   -0.0174    1.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478    0.9317    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1223    2.9424   -1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760    3.2645    1.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8461   -2.0965   -1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6563   -0.5501   -1.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8107   -1.4681   -0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7682    0.3279    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209   -2.7332    0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1012   -0.9663    2.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142   -2.3096   -0.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9254   -3.4276    1.1330 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  1
  6 25  1  0
 10 26  1  0
 11 27  1  0
 13 28  1  6
 14 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  1
 17 33  1  0
 18 34  1  6
 19 35  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Acetamido-2-deoxy-1-O-phosphono-D-galactopyranose	ChEBI
N-Acetyl-D-galactosamine 1-phosphoric acid	Generator
N- Acetyl-alpha-D-galactosamine 1-phosphate	HMDB
N- Acetyl-alpha-delta-galactosamine 1-phosphate	HMDB
GalNAc-1-p	MeSH, HMDB
N-Acetylgalactosamine-1-phosphate	MeSH, HMDB

Chemical Formula

C₈H₁₆NO₉P

Average Molecular Weight

301.1877

Monoisotopic Molecular Weight

301.056267627

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

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-KEWYIRBNSA-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

D-galactosamine 1-phosphate (CHEBI:55404 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0006480)

Source

Endogenous

Endogenous (HMDB: HMDB0006480)

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)

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	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	25.46 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]+	166.198	31661259
DarkChem	[M-H]-	160.781	31661259
DeepCCS	[M+H]+	163.779	30932474
DeepCCS	[M-H]-	161.384	30932474
DeepCCS	[M-2H]-	194.5	30932474
DeepCCS	[M+Na]+	169.692	30932474
AllCCS	[M+H]+	165.2	32859911
AllCCS	[M+H-H2O]+	161.9	32859911
AllCCS	[M+NH4]+	168.2	32859911
AllCCS	[M+Na]+	169.0	32859911
AllCCS	[M-H]-	158.5	32859911
AllCCS	[M+Na-2H]-	158.7	32859911
AllCCS	[M+HCOO]-	158.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-Acetyl-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 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-D-galactosamine 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9120000000-2507499f07ea8312a877	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate GC-MS (3 TMS) - 70eV, Positive	splash10-0ukc-9670340000-8dbca241bbca6eb80421	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetyl-D-galactosamine 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-D-galactosamine 1-phosphate 10V, Positive-QTOF	splash10-0udi-2096000000-e53b25491484b97a9340	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 20V, Positive-QTOF	splash10-0f7n-8291000000-0484625ad8ff2894f4ef	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 40V, Positive-QTOF	splash10-0007-9310000000-5ab12a446ee7c0ab5907	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 10V, Negative-QTOF	splash10-002s-9201000000-056a55d3c4355491d46a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 20V, Negative-QTOF	splash10-004i-9100000000-7f15395993bd262d2b95	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-0fc2f90e4614dde0255f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 10V, Positive-QTOF	splash10-0udi-0269000000-3075b429edd6182c13ba	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 20V, Positive-QTOF	splash10-0udi-0559000000-4ca1cd5a6e65977c0024	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 40V, Positive-QTOF	splash10-0fk9-6900000000-1cb673f71135d27b87a1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 10V, Negative-QTOF	splash10-0udi-1019000000-7dfe9f6a1a82e9cc6643	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 20V, Negative-QTOF	splash10-004i-9021000000-405c928cec60fc405bdb	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetyl-D-galactosamine 1-phosphate 40V, Negative-QTOF	splash10-004j-9000000000-5c37c1fa0342ac32c556	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023931

KNApSAcK ID

Not Available

Chemspider ID

17216370

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

2241575

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

22833661

PDB ID

Not Available

ChEBI ID

55404

Food Biomarker Ontology

Not Available

VMH ID

ACGAL1P

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for N-Acetyl-D-galactosamine 1-phosphate (HMDB0006480)

MOL for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

3D MOL for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

3D SDF for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

3D-SDF for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

PDB for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

3D PDB for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

SMILES for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

INCHI for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

Structure for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

3D Structure for HMDB0006480 (N-Acetyl-D-galactosamine 1-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra