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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-09-22 18:34:14 UTC

HMDB ID

HMDB0000833

Secondary Accession Numbers

HMDB00833

Metabolite Identification

Common Name

N-Glycolylneuraminic acid

Description

N-Glycolylneuraminic acid (Neu5Gc) is a widely expressed sialic acid found in most mammalian cells. Although humans are genetically deficient in producing Neu5Gc, small amounts are present in human cells and biofluids. Humans cannot synthesize Neu5Gc because the human gene CMAH is irreversibly mutated, though it is found in apes. This loss of the CMAH gene was estimated to have occurred two to three million years ago, just before the emergence of the genus Homo. A dietary origin of Neu5Gc was suggested by human volunteer studies. These trace amounts of Neu5Gc were determined to come from the consumption of animals in the human diet (i.e. red meats such as lamb, pork, and beef). Neu5Gc can also be found in dairy products, but to a lesser extent. Neu5Gc is not found in poultry and is found in only trace amounts in fish (Wikipedia ).

Structure

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

HMDB0000833
     RDKit          3D
N-Glycolylneuraminic acid
 41 41  0  0  0  0  0  0  0  0999 V2000
   -2.6577    0.4759   -1.8777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0769    1.4567   -1.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780    2.8005   -1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6731    3.7971   -1.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601    1.1748   -0.2904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -0.1244    0.1913 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3709   -0.3305    1.6317 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6058    0.2572    1.8129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3969   -1.8312    1.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -2.3181    1.6203 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8096   -1.8308    2.6364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222   -3.8030    1.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6118   -4.4078    2.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7428   -4.5571    0.7544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098   -1.9710    0.3666 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515   -0.5591    0.2074 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3561   -0.3338   -1.0183 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6235   -0.9175   -0.7522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460    1.0886   -1.3773 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4903    1.0380   -2.5158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065    1.8370   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760    3.1226   -0.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4505    3.0745   -1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.8670   -2.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044    4.6129   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911    2.0014    0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486   -0.8894   -0.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5904    0.0691    2.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9776   -0.0911    2.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6963   -2.1177    2.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819   -2.2380    1.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360   -2.3505    2.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042   -4.8362   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0443   -0.1937    1.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346   -0.8665   -1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4593   -1.9060   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737    1.6734   -1.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3716    0.6772   -2.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    1.3981   -0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8717    1.9860    0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078    3.0656   -1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  2  0
 12 14  1  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 16  6  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  5 26  1  0
  6 27  1  6
  7 28  1  1
  8 29  1  0
  9 30  1  0
  9 31  1  0
 11 32  1  0
 14 33  1  0
 16 34  1  1
 17 35  1  6
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  0
 21 40  1  0
 22 41  1  0
M  END

N-Glycolylneuraminic acid.mol
  Mrv0541 02231218462D          

 22 22  0  0  0  0            999 V2000
    1.5210    1.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389    0.9464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0513    0.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389    0.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244   -0.2911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5244   -1.1161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1901   -1.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389   -1.5286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2389   -2.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533   -1.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533   -0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901    0.1214    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9046   -0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901    0.9464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9046    1.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    1.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3335    1.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907    2.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6190    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6190    0.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3335   -0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3335   -1.1161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  6  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
  2 16  1  0  0  0  0
  1 17  2  0  0  0  0
  1 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000833

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1

> <INCHI_KEY>
FDJKUWYYUZCUJX-AJKRCSPLSA-N

> <FORMULA>
C11H19NO10

> <MOLECULAR_WEIGHT>
325.2693

> <EXACT_MASS>
325.100895833

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
28.66874184523551

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4S,5R,6R)-2,4-dihydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.98

> <JCHEM_LOGP>
-4.381185565

> <ALOGPS_LOGS>
-0.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.078213729825416

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9169608253505808

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9741940631062587

> <JCHEM_POLAR_SURFACE_AREA>
197.01

> <JCHEM_REFRACTIVITY>
65.4836

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.54e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-glycolylneuraminic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000833
     RDKit          3D
N-Glycolylneuraminic acid
 41 41  0  0  0  0  0  0  0  0999 V2000
   -2.6577    0.4759   -1.8777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0769    1.4567   -1.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780    2.8005   -1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6731    3.7971   -1.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601    1.1748   -0.2904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -0.1244    0.1913 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3709   -0.3305    1.6317 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6058    0.2572    1.8129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3969   -1.8312    1.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -2.3181    1.6203 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8096   -1.8308    2.6364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222   -3.8030    1.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6118   -4.4078    2.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7428   -4.5571    0.7544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098   -1.9710    0.3666 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515   -0.5591    0.2074 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3561   -0.3338   -1.0183 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6235   -0.9175   -0.7522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460    1.0886   -1.3773 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4903    1.0380   -2.5158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065    1.8370   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760    3.1226   -0.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4505    3.0745   -1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.8670   -2.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044    4.6129   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911    2.0014    0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486   -0.8894   -0.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5904    0.0691    2.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9776   -0.0911    2.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6963   -2.1177    2.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819   -2.2380    1.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360   -2.3505    2.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042   -4.8362   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0443   -0.1937    1.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346   -0.8665   -1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4593   -1.9060   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737    1.6734   -1.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3716    0.6772   -2.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    1.3981   -0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8717    1.9860    0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078    3.0656   -1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  2  0
 12 14  1  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 16  6  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  5 26  1  0
  6 27  1  6
  7 28  1  1
  8 29  1  0
  9 30  1  0
  9 31  1  0
 11 32  1  0
 14 33  1  0
 16 34  1  1
 17 35  1  6
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  0
 21 40  1  0
 22 41  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: N-Glycolylneuraminic acid.mol                     
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       2.839   3.214   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.313   1.767   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       3.829   1.499   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       2.313   0.227   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.979  -0.543   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.979  -2.083   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.355  -2.853   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.313  -2.853   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.313  -4.393   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.646  -2.083   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.646  -0.543   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.355   0.227   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -1.689  -0.543   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      -0.355   1.767   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.689   2.537   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       0.979   2.537   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.356   3.481   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.849   4.393   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -3.022   0.227   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -3.022   1.767   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -4.356  -0.543   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -4.356  -2.083   0.000  0.00  0.00           O+0
CONECT    1    2   17   18                                                  
CONECT    2    1    3    4   16                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10                                                            
CONECT   12    5   13   14                                                  
CONECT   13   12   19                                                       
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    2                                                       
CONECT   17    1                                                            
CONECT   18    1                                                            
CONECT   19   20   21   13                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

COMPND    HMDB0000833
HETATM    1  O1  UNL     1      -2.658   0.476  -1.878  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.077   1.457  -1.346  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.378   2.800  -1.840  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.673   3.797  -1.171  1.00  0.00           O  
HETATM    5  N1  UNL     1      -1.160   1.175  -0.290  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.865  -0.124   0.191  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.371  -0.331   1.632  1.00  0.00           C  
HETATM    8  O3  UNL     1      -2.606   0.257   1.813  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.397  -1.831   1.833  1.00  0.00           C  
HETATM   10  C6  UNL     1       0.023  -2.318   1.620  1.00  0.00           C  
HETATM   11  O4  UNL     1       0.810  -1.831   2.636  1.00  0.00           O  
HETATM   12  C7  UNL     1      -0.022  -3.803   1.664  1.00  0.00           C  
HETATM   13  O5  UNL     1       0.612  -4.408   2.553  1.00  0.00           O  
HETATM   14  O6  UNL     1      -0.743  -4.557   0.754  1.00  0.00           O  
HETATM   15  O7  UNL     1       0.510  -1.971   0.367  1.00  0.00           O  
HETATM   16  C8  UNL     1       0.551  -0.559   0.207  1.00  0.00           C  
HETATM   17  C9  UNL     1       1.356  -0.334  -1.018  1.00  0.00           C  
HETATM   18  O8  UNL     1       2.623  -0.917  -0.752  1.00  0.00           O  
HETATM   19  C10 UNL     1       1.646   1.089  -1.377  1.00  0.00           C  
HETATM   20  O9  UNL     1       2.490   1.038  -2.516  1.00  0.00           O  
HETATM   21  C11 UNL     1       2.407   1.837  -0.323  1.00  0.00           C  
HETATM   22  O10 UNL     1       2.676   3.123  -0.846  1.00  0.00           O  
HETATM   23  H1  UNL     1      -3.451   3.075  -1.795  1.00  0.00           H  
HETATM   24  H2  UNL     1      -2.096   2.867  -2.919  1.00  0.00           H  
HETATM   25  H3  UNL     1      -1.604   4.613  -1.745  1.00  0.00           H  
HETATM   26  H4  UNL     1      -0.691   2.001   0.137  1.00  0.00           H  
HETATM   27  H5  UNL     1      -1.449  -0.889  -0.394  1.00  0.00           H  
HETATM   28  H6  UNL     1      -0.590   0.069   2.318  1.00  0.00           H  
HETATM   29  H7  UNL     1      -2.978  -0.091   2.657  1.00  0.00           H  
HETATM   30  H8  UNL     1      -1.696  -2.118   2.849  1.00  0.00           H  
HETATM   31  H9  UNL     1      -2.082  -2.238   1.047  1.00  0.00           H  
HETATM   32  H10 UNL     1       1.636  -2.350   2.784  1.00  0.00           H  
HETATM   33  H11 UNL     1      -0.404  -4.836  -0.156  1.00  0.00           H  
HETATM   34  H12 UNL     1       1.044  -0.194   1.137  1.00  0.00           H  
HETATM   35  H13 UNL     1       0.935  -0.866  -1.863  1.00  0.00           H  
HETATM   36  H14 UNL     1       2.459  -1.906  -0.637  1.00  0.00           H  
HETATM   37  H15 UNL     1       0.774   1.673  -1.725  1.00  0.00           H  
HETATM   38  H16 UNL     1       3.372   0.677  -2.276  1.00  0.00           H  
HETATM   39  H17 UNL     1       3.387   1.398  -0.099  1.00  0.00           H  
HETATM   40  H18 UNL     1       1.872   1.986   0.611  1.00  0.00           H  
HETATM   41  H19 UNL     1       2.808   3.066  -1.843  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    5
CONECT    3    4   23   24
CONECT    4   25
CONECT    5    6   26
CONECT    6    7   16   27
CONECT    7    8    9   28
CONECT    8   29
CONECT    9   10   30   31
CONECT   10   11   12   15
CONECT   11   32
CONECT   12   13   13   14
CONECT   14   33
CONECT   15   16
CONECT   16   17   34
CONECT   17   18   19   35
CONECT   18   36
CONECT   19   20   21   37
CONECT   20   38
CONECT   21   22   39   40
CONECT   22   41
END

HMDB0000833
     RDKit          3D
N-Glycolylneuraminic acid
 41 41  0  0  0  0  0  0  0  0999 V2000
   -2.6577    0.4759   -1.8777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0769    1.4567   -1.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780    2.8005   -1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6731    3.7971   -1.1710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601    1.1748   -0.2904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -0.1244    0.1913 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3709   -0.3305    1.6317 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6058    0.2572    1.8129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3969   -1.8312    1.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -2.3181    1.6203 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8096   -1.8308    2.6364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222   -3.8030    1.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6118   -4.4078    2.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7428   -4.5571    0.7544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098   -1.9710    0.3666 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515   -0.5591    0.2074 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3561   -0.3338   -1.0183 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6235   -0.9175   -0.7522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6460    1.0886   -1.3773 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4903    1.0380   -2.5158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4065    1.8370   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760    3.1226   -0.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4505    3.0745   -1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958    2.8670   -2.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044    4.6129   -1.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911    2.0014    0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486   -0.8894   -0.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5904    0.0691    2.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9776   -0.0911    2.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6963   -2.1177    2.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819   -2.2380    1.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360   -2.3505    2.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4042   -4.8362   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0443   -0.1937    1.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9346   -0.8665   -1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4593   -1.9060   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737    1.6734   -1.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3716    0.6772   -2.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    1.3981   -0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8717    1.9860    0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078    3.0656   -1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  2  0
 12 14  1  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 16  6  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  5 26  1  0
  6 27  1  6
  7 28  1  1
  8 29  1  0
  9 30  1  0
  9 31  1  0
 11 32  1  0
 14 33  1  0
 16 34  1  1
 17 35  1  6
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  0
 21 40  1  0
 22 41  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
GcNeu	ChEBI
N-Glycolyl-beta-neuraminic acid	ChEBI
Neu5GC	ChEBI
NeuGc	ChEBI
NGNA	ChEBI
N-Glycolyl-b-neuraminate	Generator
N-Glycolyl-b-neuraminic acid	Generator
N-Glycolyl-beta-neuraminate	Generator
N-Glycolyl-β-neuraminate	Generator
N-Glycolyl-β-neuraminic acid	Generator
N-Glycolylneuraminate	Generator
3,5-Dideoxy-5-((hydroxyacetyl)amino)-D-glycero-D-galacto-2-nonulosonate	HMDB
3,5-Dideoxy-5-((hydroxyacetyl)amino)-D-glycero-D-galacto-2-nonulosonic acid	HMDB
N-Glycoloyl-neuraminate	HMDB
N-Glycoloylneuraminate	HMDB
N-Glycoloylneuraminic acid	HMDB
N-Glycolyl-5-neuraminate	HMDB
N-Glycolyl-5-neuraminic acid	HMDB
N-Glycolylneuraminic acid, (alpha-D-gal)-isomer	HMDB
N-Glycoloyl-b-neuraminate	HMDB
N-Glycoloyl-b-neuraminic acid	HMDB
N-Glycoloyl-beta-neuraminate	HMDB
N-Glycoloyl-β-neuraminate	HMDB
N-Glycoloyl-β-neuraminic acid	HMDB
N-Glycolylneuraminic acid	ChEBI

Chemical Formula

C₁₁H₁₉NO₁₀

Average Molecular Weight

325.2693

Monoisotopic Molecular Weight

325.100895833

IUPAC Name

(2S,4S,5R,6R)-2,4-dihydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Traditional Name

N-glycolylneuraminic acid

CAS Registry Number

1113-83-3

SMILES

OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O

InChI Identifier

InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1

InChI Key

FDJKUWYYUZCUJX-AJKRCSPLSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as neuraminic acids. These are carbohydrate derivatives containing a neuraminic acid moiety.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Neuraminic acids

Alternative Parents

Substituents

Neuraminic acid
C-glucuronide
C-glycosyl compound
Glycosyl compound
Alpha-hydroxy acid
Hydroxy acid
Oxane
Pyran
Hemiacetal
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Organonitrogen compound
Organic nitrogen compound
Organopnictogen compound
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

N-acylneuraminic acid (CHEBI:62084 )

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

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	254 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.4	ChemAxon
logS	-0.11	ALOGPS
pKa (Strongest Acidic)	2.92	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	197.01 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	65.48 m³·mol⁻¹	ChemAxon
Polarizability	28.67 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	172.856	31661259
DarkChem	[M-H]-	164.534	31661259
AllCCS	[M+H]+	171.171	32859911
AllCCS	[M-H]-	167.09	32859911
DeepCCS	[M+H]+	168.887	30932474
DeepCCS	[M-H]-	166.492	30932474
DeepCCS	[M-2H]-	199.798	30932474
DeepCCS	[M+Na]+	174.807	30932474
AllCCS	[M+H]+	171.2	32859911
AllCCS	[M+H-H2O]+	168.1	32859911
AllCCS	[M+NH4]+	174.0	32859911
AllCCS	[M+Na]+	174.8	32859911
AllCCS	[M-H]-	167.1	32859911
AllCCS	[M+Na-2H]-	166.7	32859911
AllCCS	[M+HCOO]-	166.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-Glycolylneuraminic acid	OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O	3839.6	Standard polar	33892256
N-Glycolylneuraminic acid	OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O	2596.5	Standard non polar	33892256
N-Glycolylneuraminic acid	OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O	3011.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-Glycolylneuraminic acid,1TMS,isomer #1	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2699.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TMS,isomer #2	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2711.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TMS,isomer #3	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2679.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TMS,isomer #4	C[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2693.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)CO	2687.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TMS,isomer #6	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2751.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TMS,isomer #7	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2641.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TMS,isomer #8	C[Si](C)(C)N(C(=O)CO)[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2653.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2680.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2634.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #11	C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H]1NC(=O)CO	2666.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #12	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2690.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #13	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2637.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #14	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2672.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #15	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2621.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #16	C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)[C@@H]1NC(=O)CO	2655.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #17	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2668.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #18	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2638.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #19	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2635.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #2	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2668.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #20	C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)CO	2672.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #21	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2720.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #22	C[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2659.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #23	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2597.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #24	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2677.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #25	C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2638.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #26	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	2643.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #27	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2655.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #28	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2592.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #3	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2695.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #4	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2633.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #5	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2681.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #6	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2684.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #7	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2647.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #8	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2683.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TMS,isomer #9	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2696.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2631.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #10	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2650.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #11	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2634.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #12	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2576.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #13	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2609.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #14	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2659.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #15	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2640.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #16	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2566.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #17	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2611.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #18	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2597.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #19	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2611.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2645.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #20	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2615.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #21	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2623.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #22	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2661.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2639.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #24	C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[C@@H]1NC(=O)CO	2616.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #25	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2658.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #26	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2634.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2607.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #28	C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H]1NC(=O)CO	2636.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #29	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2691.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2593.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #30	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2648.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #31	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2591.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #32	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2648.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #33	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2597.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #34	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2646.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #35	C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2628.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #36	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2628.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #37	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2566.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #38	C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)[C@@H]1NC(=O)CO	2599.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #39	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2644.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2592.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #40	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2627.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #41	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2577.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #42	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2626.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #43	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2601.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #44	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2616.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #45	C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2620.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #46	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2623.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #47	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2546.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #48	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	2596.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #49	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2594.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #5	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2615.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #50	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2637.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #51	C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2625.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #52	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2625.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #53	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	2602.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #54	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2585.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #55	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2605.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #56	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2597.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2599.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #7	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2653.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #8	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2634.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TMS,isomer #9	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2617.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2653.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #10	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2596.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #11	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2633.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #12	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2616.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #13	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2604.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #14	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2619.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #15	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2632.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #16	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2623.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #17	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2643.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #18	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2695.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #19	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2666.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2638.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #20	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2625.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #21	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2670.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #22	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2641.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #23	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2632.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #24	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2644.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #25	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2665.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #26	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2569.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #27	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2624.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #28	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2624.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #29	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2626.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2590.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #30	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2637.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #31	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2666.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #32	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2614.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #33	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2610.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #34	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2642.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #35	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2631.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2626.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #37	C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[C@@H]1NC(=O)CO	2650.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #38	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2699.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #39	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2670.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #4	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2618.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #40	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2626.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #41	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2674.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #42	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2639.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #43	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2637.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #44	C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2648.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #45	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2662.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #46	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2601.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #47	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2661.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #48	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2627.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #49	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2665.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2635.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #50	C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2660.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #51	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2680.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #52	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2645.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #53	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2610.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #54	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2643.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #55	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2655.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #56	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2585.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #57	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2634.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #58	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2610.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #59	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2649.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2604.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #60	C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2634.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #61	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2658.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #62	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2640.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #63	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2612.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #64	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2639.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #65	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2638.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #66	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	2585.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #67	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2614.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #68	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2622.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #69	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2627.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2618.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #70	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2611.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #8	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2672.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2641.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2643.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #10	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2658.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #11	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2620.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #12	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2661.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #13	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2637.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #14	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2655.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #15	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2657.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #16	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2697.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #17	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2621.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #18	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2623.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #19	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2656.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2646.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #20	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2651.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #21	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2634.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #22	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2673.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #23	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2641.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #24	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2677.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #25	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2672.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #26	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2711.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #27	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2649.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #28	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2635.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #29	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2671.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #3	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2681.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #30	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2664.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #31	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2612.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #32	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2643.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #33	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2670.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #34	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2674.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #35	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2652.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2643.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #37	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2674.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #38	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2648.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #39	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2678.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2679.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #40	C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2680.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #41	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2715.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #42	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2649.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #43	C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2645.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #44	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2673.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #45	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2674.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #46	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2648.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #47	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2641.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #48	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2674.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #49	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2697.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2630.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #50	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2656.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #51	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2642.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #52	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2642.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #53	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2660.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #54	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2688.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #55	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2662.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #56	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2660.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #6	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2664.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2646.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #8	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2606.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TMS,isomer #9	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2648.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2654.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #10	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2686.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #11	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2632.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #12	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2661.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #13	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2677.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #14	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2706.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #15	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2663.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #16	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2640.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #17	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2659.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #18	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2675.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #19	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2710.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #2	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #20	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2671.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #21	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2678.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #22	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2652.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #23	C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2675.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #24	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2687.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #25	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2729.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #26	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2689.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #27	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2692.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #28	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2682.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2666.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #4	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2699.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #6	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2716.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #7	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2630.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #8	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2661.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,6TMS,isomer #9	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2676.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,7TMS,isomer #1	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2663.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,7TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2702.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,7TMS,isomer #3	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2715.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,7TMS,isomer #4	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2753.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,7TMS,isomer #5	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2714.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,7TMS,isomer #6	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2712.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,7TMS,isomer #7	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2712.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,7TMS,isomer #8	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2728.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2951.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2952.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2928.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2946.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)CO	2918.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2971.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2919.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C(=O)CO)[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2917.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3109.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3123.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)CO	3110.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3144.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3114.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3097.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3106.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[C@@H]1NC(=O)CO	3076.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3117.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3106.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	3106.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3106.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)CO	3092.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3141.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3110.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	3086.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3104.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3082.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3145.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3121.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3097.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3132.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3111.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3096.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3117.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3108.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3110.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3139.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3269.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3300.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3299.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3302.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3302.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3339.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3312.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3279.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3315.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3299.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3306.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3307.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3288.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3307.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3307.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3292.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)CO	3289.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3302.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3299.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3311.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)CO	3317.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3357.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3274.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3324.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3298.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3347.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3311.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3335.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3301.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3320.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3279.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[C@@H]1NC(=O)CO	3284.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3304.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3271.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3303.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3275.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3308.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3294.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3285.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3292.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3316.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	3300.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3329.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3300.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3286.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3316.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3305.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3341.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3315.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3291.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3309.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3323.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3285.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3303.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3291.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3283.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3498.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3481.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3517.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3488.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3496.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3476.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3500.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3496.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3494.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3529.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3514.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3495.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3506.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3539.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3505.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3513.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3502.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3524.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3481.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3514.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3495.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3509.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3474.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3502.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3531.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3508.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3483.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3510.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3494.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3493.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)CO	3503.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3529.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3508.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3506.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3502.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3528.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3494.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3511.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3496.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3521.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3502.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3538.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3507.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3542.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3490.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3519.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3547.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3538.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3496.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3529.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3520.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3472.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3491.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3478.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3501.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3490.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3499.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3518.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3507.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3488.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3500.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3506.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3501.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3502.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3511.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3519.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3490.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3499.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3531.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3501.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3673.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3718.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3667.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3710.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3685.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3714.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3699.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3733.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3711.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3670.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3705.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3678.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3694.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3673.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3710.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3692.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3714.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3708.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3741.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3723.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3693.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3722.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3723.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3718.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3685.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3676.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3698.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3711.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3688.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3676.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3708.2	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3686.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3718.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3708.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3709.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3738.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3720.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3685.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3715.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3715.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3710.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3695.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3718.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3744.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3685.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3709.6	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3687.1	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3679.4	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3688.3	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3715.7	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3702.0	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3686.9	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3714.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3691.8	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3701.5	Semi standard non polar	33892256
N-Glycolylneuraminic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3688.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (7 TMS)	splash10-0uyi-1962100000-067536fa09a9f4d800e0	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (7 TMS)	splash10-0uyi-1952000000-484ead4e1a3af51b0714	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (Non-derivatized)	splash10-0uyi-1962100000-067536fa09a9f4d800e0	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (Non-derivatized)	splash10-0uyi-1952000000-484ead4e1a3af51b0714	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-06r6-9273000000-5c6d51bda33a259f5d8f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (5 TMS) - 70eV, Positive	splash10-00di-2440139000-34fd840ffd4733d7b800	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Glycolylneuraminic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , negative-QTOF	splash10-00di-0009000000-725f09fdbea77cad26b9	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , negative-QTOF	splash10-014r-1911000000-62b69588a30dacfc58cc	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , negative-QTOF	splash10-014r-4900000000-652fc11358cff60b63bb	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , negative-QTOF	splash10-00kr-9800000000-8bb4ecb6ce0cbf7200b1	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , negative-QTOF	splash10-000i-9300000000-bbdec88b422ae8642907	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , positive-QTOF	splash10-0a6s-2119000000-80aa31ef23a044b866c0	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , positive-QTOF	splash10-0udi-0930000000-e28be357d409e7f8cadb	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , positive-QTOF	splash10-0udi-3900000000-3b9b380bc27450f24b59	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , positive-QTOF	splash10-0kh9-9700000000-b94f9a0c0062770a53a4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - N-Glycolylneuraminic acid LC-ESI-QQ , positive-QTOF	splash10-05ur-9400000000-c917e53bf830d240ad13	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 10V, Positive-QTOF	splash10-0a6r-0059000000-377e90bfda4ffa8facb4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 20V, Positive-QTOF	splash10-03dl-7093000000-15010234d25f713c5b71	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 40V, Positive-QTOF	splash10-114i-9360000000-5a4ced086491066da419	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 10V, Negative-QTOF	splash10-06xx-4963000000-310a6dbf7e7376a9ec4a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 20V, Negative-QTOF	splash10-000i-9210000000-f1b47230cbc1325c439d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 40V, Negative-QTOF	splash10-0abi-9300000000-390de2a5f39f68f89b60	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 10V, Positive-QTOF	splash10-004i-0009000000-3ee984b0be99d490e78c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 20V, Positive-QTOF	splash10-0059-1296000000-07dc35c9a1e407f8d530	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 40V, Positive-QTOF	splash10-0006-6910000000-dd1ffb002d3101aaae3f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 10V, Negative-QTOF	splash10-00di-0019000000-f054376685deeb8718e9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 20V, Negative-QTOF	splash10-0pi0-9182000000-2ac0fb29e70889e8c911	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Glycolylneuraminic acid 40V, Negative-QTOF	splash10-0006-9000000000-4318c8fac7ddac1f7f9f	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Urine

Tissue Locations

Spleen

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

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

FDB001165

KNApSAcK ID

Not Available

Chemspider ID

110352

KEGG Compound ID

C03410

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

N-Glycolylneuraminic_acid

METLIN ID

3580

PubChem Compound

123802

PDB ID

Not Available

ChEBI ID

62084

Food Biomarker Ontology

Not Available

VMH ID

HC01115

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Kamimori H, Hamashima Y, Konishi M: Determination of carnitine and saturated-acyl group carnitines in human urine by high-performance liquid chromatography with fluorescence detection. Anal Biochem. 1994 May 1;218(2):417-24. [PubMed:8074302 ]
Kobayashi Y, Kobayashi K, Umehara K, Dohra H, Murata T, Usui T, Kawagishi H: Purification, characterization, and sugar binding specificity of an N-Glycolylneuraminic acid-specific lectin from the mushroom Chlorophyllum molybdites. J Biol Chem. 2004 Dec 17;279(51):53048-55. Epub 2004 Oct 7. [PubMed:15471858 ]
Ishida J, Nakahara T, Yamaguchi M: Measurement of N-acetylneuraminic acid in human serum and urine by high performance liquid chromatography with chemiluminescence detection. Biomed Chromatogr. 1992 May-Jun;6(3):135-40. [PubMed:1525488 ]
Nguyen DH, Tangvoranuntakul P, Varki A: Effects of natural human antibodies against a nonhuman sialic acid that metabolically incorporates into activated and malignant immune cells. J Immunol. 2005 Jul 1;175(1):228-36. [PubMed:15972653 ]
Watarai S, Kushi Y, Shigeto R, Misawa N, Eishi Y, Handa S, Yasuda T: Production of monoclonal antibodies directed to Hanganutziu-Deicher active gangliosides, N-glycolylneuraminic acid-containing gangliosides. J Biochem. 1995 May;117(5):1062-9. [PubMed:8586620 ]
Ezzelarab M, Ayares D, Cooper DK: Carbohydrates in xenotransplantation. Immunol Cell Biol. 2005 Aug;83(4):396-404. [PubMed:16033535 ]
Bardor M, Nguyen DH, Diaz S, Varki A: Mechanism of uptake and incorporation of the non-human sialic acid N-glycolylneuraminic acid into human cells. J Biol Chem. 2005 Feb 11;280(6):4228-37. Epub 2004 Nov 22. [PubMed:15557321 ]
Zhou Q, Kyazike J, Echelard Y, Meade HM, Higgins E, Cole ES, Edmunds T: Effect of genetic background on glycosylation heterogeneity in human antithrombin produced in the mammary gland of transgenic goats. J Biotechnol. 2005 Apr 20;117(1):57-72. [PubMed:15831248 ]

Enzymes

Enzyme Details

1. N-acylneuraminate cytidylyltransferase

General function:: Involved in lipopolysaccharide biosynthetic process
Specific function:: Catalyzes the activation of N-acetylneuraminic acid (NeuNAc) to cytidine 5'-monophosphate N-acetylneuraminic acid (CMP-NeuNAc), a substrate required for the addition of sialic acid. Has some activity toward NeuNAc, N-glycolylneuraminic acid (Neu5Gc) or 2-keto-3-deoxy-D-glycero-D-galacto-nononic acid (KDN).
Gene Name:: CMAS
Uniprot ID:: Q8NFW8
Molecular weight:: 48378.835

Reactions

Cytidine triphosphate + N-Glycolylneuraminic acid → Pyrophosphate + CMP-N-glycoloylneuraminate	details

Showing metabocard for N-Glycolylneuraminic acid (HMDB0000833)

MOL for HMDB0000833 (N-Glycolylneuraminic acid)

3D MOL for HMDB0000833 (N-Glycolylneuraminic acid)

3D SDF for HMDB0000833 (N-Glycolylneuraminic acid)

3D-SDF for HMDB0000833 (N-Glycolylneuraminic acid)

PDB for HMDB0000833 (N-Glycolylneuraminic acid)

3D PDB for HMDB0000833 (N-Glycolylneuraminic acid)

SMILES for HMDB0000833 (N-Glycolylneuraminic acid)

INCHI for HMDB0000833 (N-Glycolylneuraminic acid)

Structure for HMDB0000833 (N-Glycolylneuraminic acid)

3D Structure for HMDB0000833 (N-Glycolylneuraminic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions