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Showing metabocard for Chitin (HMDB0003362)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (8) Show 8 proteinsXML
enzymes (8) Show 8 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-12 19:21:29 UTC
Update Date2021-09-14 15:45:59 UTC
HMDB IDHMDB0003362
Secondary Accession Numbers
  • HMDB03362
Metabolite Identification
Common NameChitin
DescriptionChitin is one of the main components in the cell walls of fungi, the exoskeletons of insects and other arthropods (such as crustaceans) as well as fish and frogs. It is a polysaccharide that is constructed from units of acetylglucosamine (more completely, N-acetyl-D-glucose-2-amine). These are linked together in beta-1,4 fashion (in a similar manner to the glucose units which form cellulose). In effect, chitin may be described as cellulose with one hydroxyl group on each monomer replaced by an acetylamine group. This allows for increased hydrogen bonding between adjacent polymers, giving the polymer increased strength. Chitin is the second most abundant polysaccharide in the world (after cellulose). Chitinases break down chitin and are a part of the defence mechanism of mammals against chitin-containing parasites in lower life forms. Under certain circumstances, chitin can act as an allergen. Research using murine models has shown that chitin is a size-dependent microbial-associated molecular pattern (MAMP) that can induce an immunological response via pattern recognition receptors. Medium-sized chitin micro-particles (CMPs) have been shown to induce inflammation, while small-sized CMPs reduce inflammation. Additionally, mammalian chitinases may play a key role in mediating the T-helper 2 cell-driven inflammatory response that is commonly associated with asthma. The high prevalence of asthma among people working with chitinous substances, such as crabs and fungi, suggests that chitin might be an allergen playing a significant role in the development of asthma.
Structure
Data?1582752273
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0003362 (Chitin)


  Mrv1652304101819532D          

 43 45  0  0  1  0            999 V2000
   13.3608   -6.9653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3650   -6.1402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6526   -5.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7939   -6.1476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7896   -6.9727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0815   -5.7314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732   -7.3815    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5105   -5.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5020   -7.3887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0688   -8.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6569   -4.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2185   -6.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9309   -7.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2227   -6.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6442   -7.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5008   -8.6115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.9298   -7.7865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2153   -7.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6428   -7.7868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 18 15  1  1  0  0  0
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M  STY  1   1 SRU
M  SCN  1   1 HT 
M  SAL   1 14  15  16  17  18  19  20  21  33  34  35  41  42  43  32
M  SDI   1  4   10.4541   -9.2100    9.9591   -8.3527
M  SDI   1  4   12.6939   -6.7759   13.1846   -7.6358
M  SBL   1  2  29  30
M  SMT   1 n
M  END
Download

3D MOL for HMDB0003362 (Chitin)

HMDB0003362
     RDKit          3D
Chitin
 84 86  0  0  0  0  0  0  0  0999 V2000
   -3.8674    2.1050    3.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 80  1  0
 40 81  1  6
 41 82  1  0
 42 83  1  1
 43 84  1  0
M  END
Download

3D SDF for HMDB0003362 (Chitin)


  Mrv1652304101819532D          

 43 45  0  0  1  0            999 V2000
   13.3608   -6.9653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3650   -6.1402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6526   -5.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7939   -6.1476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7896   -6.9727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0815   -5.7314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732   -7.3815    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5105   -5.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5020   -7.3887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0688   -8.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6569   -4.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2185   -6.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9309   -7.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2227   -6.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6442   -7.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5008   -8.6115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5008   -7.7865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9298   -7.7865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2153   -7.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9298   -8.6115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2153   -9.0240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6428   -7.7868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3572   -7.3742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9283   -7.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0718   -8.6115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3573   -9.0242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0718   -7.7867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6429   -8.6118    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7863   -9.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3575   -9.8492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285   -9.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6441   -9.0240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152   -9.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7863   -7.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7863   -6.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6426   -6.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0721  -10.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0723  -11.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7864   -9.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6440   -9.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9295  -10.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3584  -10.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 15  1  1  0  0  0
 17 16  1  0  0  0  0
 21 16  1  0  0  0  0
 17 34  1  1  0  0  0
 19 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 32  1  6  0  0  0
 20 21  1  0  0  0  0
 21 33  1  1  0  0  0
 32 41  1  0  0  0  0
 34 35  1  0  0  0  0
 42 41  1  0  0  0  0
 43 41  2  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  6  2  1  0  0  0  0
  2  3  1  1  0  0  0
 11  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  1  0  0  0
  5  7  1  0  0  0  0
  5  9  1  6  0  0  0
  7 10  1  1  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
  9 12  1  0  0  0  0
  1 15  1  6  0  0  0
 16 29  1  6  0  0  0
 28 22  1  0  0  0  0
 23 22  1  0  0  0  0
 22 24  1  6  0  0  0
 27 23  1  0  0  0  0
 23 36  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 29  1  1  0  0  0
 26 28  1  0  0  0  0
 26 30  1  6  0  0  0
 28 31  1  1  0  0  0
 36 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 30 38  1  0  0  0  0
M  STY  1   1 SRU
M  SCN  1   1 HT 
M  SAL   1 14  15  16  17  18  19  20  21  33  34  35  41  42  43  32
M  SDI   1  4   10.4541   -9.2100    9.9591   -8.3527
M  SDI   1  4   12.6939   -6.7759   13.1846   -7.6358
M  SBL   1  2  29  30
M  SMT   1 n
M  END
> <DATABASE_ID>
HMDB0003362

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1

> <INCHI_KEY>
WZZVUHWLNMNWLW-VFCSDQTKSA-N

> <FORMULA>
C24H41N3O16

> <MOLECULAR_WEIGHT>
627.5928

> <EXACT_MASS>
627.248682279

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
-2.51

> <ALOGPS_LOGS>
-0.92

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.58e+01 g/l

$$$$
Download

3D-SDF for HMDB0003362 (Chitin)

HMDB0003362
     RDKit          3D
Chitin
 84 86  0  0  0  0  0  0  0  0999 V2000
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 40 81  1  6
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 42 83  1  1
 43 84  1  0
M  END
Download

PDB for HMDB0003362 (Chitin)

HEADER    PROTEIN                                 10-APR-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-APR-18         0                                  
HETATM    1  C   UNK     0      24.940 -13.002   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      24.948 -11.462   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.618 -10.685   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      27.615 -11.476   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      27.607 -13.016   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      26.285 -10.699   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      26.270 -13.779   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      28.953 -10.712   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      28.937 -13.792   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0      26.262 -15.318   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      23.626  -9.145   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      30.275 -13.029   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      31.604 -13.805   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      30.282 -11.489   0.000  0.00  0.00           O+0
HETATM   15  O     n     1      23.603 -13.765   0.000  0.00  0.00           O+0
HETATM   16  C     n     1      19.601 -16.075   0.000  0.00  0.00           C+0
HETATM   17  C     n     1      19.601 -14.535   0.000  0.00  0.00           C+0
HETATM   18  C     n     1      22.269 -14.535   0.000  0.00  0.00           C+0
HETATM   19  O     n     1      20.935 -13.765   0.000  0.00  0.00           O+0
HETATM   20  C     n     1      22.269 -16.075   0.000  0.00  0.00           C+0
HETATM   21  C     n     1      20.935 -16.845   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.267 -14.535   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.600 -13.765   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      12.933 -13.766   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      16.934 -16.075   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      15.600 -16.845   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      16.934 -14.535   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      14.267 -16.075   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      18.268 -16.845   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0      15.601 -18.385   0.000  0.00  0.00           N+0
HETATM   31  O   UNK     0      12.933 -16.845   0.000  0.00  0.00           O+0
HETATM   32  N     n     1      23.602 -16.845   0.000  0.00  0.00           N+0
HETATM   33  O     n     1      20.935 -18.385   0.000  0.00  0.00           O+0
HETATM   34  C     n     1      18.268 -13.765   0.000  0.00  0.00           C+0
HETATM   35  O     n     1      18.268 -12.225   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      15.600 -12.225   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      14.266 -11.455   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      16.935 -19.155   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      16.935 -20.695   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      18.268 -18.384   0.000  0.00  0.00           C+0
HETATM   41  C     n     1      23.602 -18.385   0.000  0.00  0.00           C+0
HETATM   42  C     n     1      22.268 -19.155   0.000  0.00  0.00           C+0
HETATM   43  O     n     1      24.936 -19.155   0.000  0.00  0.00           O+0
CONECT    1    7    2   15                                                  
CONECT    2    1    6    3                                                  
CONECT    3    2   11                                                       
CONECT    4    5    6    8                                                  
CONECT    5    4    7    9                                                  
CONECT    6    2    4                                                       
CONECT    7    1    5   10                                                  
CONECT    8    4                                                            
CONECT    9    5   12                                                       
CONECT   10    7                                                            
CONECT   11    3                                                            
CONECT   12   13   14    9                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   18    1                                                       
CONECT   16   17   21   29                                                  
CONECT   17   16   34   19                                                  
CONECT   18   15   19   20                                                  
CONECT   19   17   18                                                       
CONECT   20   18   32   21                                                  
CONECT   21   16   20   33                                                  
CONECT   22   28   23   24                                                  
CONECT   23   22   27   36                                                  
CONECT   24   22                                                            
CONECT   25   26   27   29                                                  
CONECT   26   25   28   30                                                  
CONECT   27   23   25                                                       
CONECT   28   22   26   31                                                  
CONECT   29   16   25                                                       
CONECT   30   26   38                                                       
CONECT   31   28                                                            
CONECT   32   20   41                                                       
CONECT   33   21                                                            
CONECT   34   17   35                                                       
CONECT   35   34                                                            
CONECT   36   23   37                                                       
CONECT   37   36                                                            
CONECT   38   39   40   30                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   32   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   90    0
END
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3D PDB for HMDB0003362 (Chitin)

COMPND    HMDB0003362
HETATM    1  C1  UNL     1      -3.867   2.105   3.121  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.135   1.593   1.777  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.256   2.400   0.807  1.00  0.00           O  
HETATM    4  N1  UNL     1      -4.271   0.209   1.486  1.00  0.00           N  
HETATM    5  C3  UNL     1      -4.536  -0.291   0.158  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.515  -1.215  -0.371  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.243  -0.660  -0.472  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.284  -1.347   0.249  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.480  -0.569   1.214  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.908  -0.781   2.661  1.00  0.00           C  
HETATM   11  O3  UNL     1      -0.040   0.040   3.422  1.00  0.00           O  
HETATM   12  O4  UNL     1       0.868  -0.960   1.109  1.00  0.00           O  
HETATM   13  C8  UNL     1       1.374  -0.409  -0.081  1.00  0.00           C  
HETATM   14  O5  UNL     1       2.695  -0.853  -0.231  1.00  0.00           O  
HETATM   15  C9  UNL     1       3.630   0.147  -0.181  1.00  0.00           C  
HETATM   16  C10 UNL     1       4.449   0.244  -1.457  1.00  0.00           C  
HETATM   17  C11 UNL     1       3.793   1.090  -2.517  1.00  0.00           C  
HETATM   18  O6  UNL     1       4.516   0.955  -3.714  1.00  0.00           O  
HETATM   19  O7  UNL     1       5.754   0.613  -1.209  1.00  0.00           O  
HETATM   20  C12 UNL     1       5.890   1.586  -0.238  1.00  0.00           C  
HETATM   21  O8  UNL     1       5.282   2.790  -0.607  1.00  0.00           O  
HETATM   22  C13 UNL     1       5.383   1.230   1.117  1.00  0.00           C  
HETATM   23  N2  UNL     1       6.534   1.060   1.998  1.00  0.00           N  
HETATM   24  C14 UNL     1       6.791   1.833   3.133  1.00  0.00           C  
HETATM   25  C15 UNL     1       7.988   1.575   3.955  1.00  0.00           C  
HETATM   26  O9  UNL     1       6.004   2.747   3.453  1.00  0.00           O  
HETATM   27  C16 UNL     1       4.581  -0.047   1.015  1.00  0.00           C  
HETATM   28  O10 UNL     1       3.882  -0.357   2.157  1.00  0.00           O  
HETATM   29  C17 UNL     1       0.583  -0.880  -1.259  1.00  0.00           C  
HETATM   30  N3  UNL     1      -0.155   0.180  -1.867  1.00  0.00           N  
HETATM   31  C18 UNL     1      -0.106   0.380  -3.281  1.00  0.00           C  
HETATM   32  C19 UNL     1      -0.864   1.473  -3.939  1.00  0.00           C  
HETATM   33  O11 UNL     1       0.598  -0.395  -3.962  1.00  0.00           O  
HETATM   34  C20 UNL     1      -0.328  -1.998  -0.762  1.00  0.00           C  
HETATM   35  O12 UNL     1       0.501  -2.928  -0.141  1.00  0.00           O  
HETATM   36  O13 UNL     1      -3.867  -1.851  -1.552  1.00  0.00           O  
HETATM   37  C21 UNL     1      -5.178  -2.074  -1.797  1.00  0.00           C  
HETATM   38  C22 UNL     1      -5.825  -1.112  -2.774  1.00  0.00           C  
HETATM   39  O14 UNL     1      -7.167  -1.489  -2.903  1.00  0.00           O  
HETATM   40  C23 UNL     1      -5.950  -2.225  -0.532  1.00  0.00           C  
HETATM   41  O15 UNL     1      -5.429  -3.258   0.204  1.00  0.00           O  
HETATM   42  C24 UNL     1      -5.925  -0.890   0.179  1.00  0.00           C  
HETATM   43  O16 UNL     1      -6.848  -0.059  -0.442  1.00  0.00           O  
HETATM   44  H1  UNL     1      -3.193   1.438   3.654  1.00  0.00           H  
HETATM   45  H2  UNL     1      -3.417   3.115   3.034  1.00  0.00           H  
HETATM   46  H3  UNL     1      -4.802   2.197   3.738  1.00  0.00           H  
HETATM   47  H4  UNL     1      -4.187  -0.508   2.246  1.00  0.00           H  
HETATM   48  H5  UNL     1      -4.596   0.607  -0.512  1.00  0.00           H  
HETATM   49  H6  UNL     1      -3.406  -2.078   0.356  1.00  0.00           H  
HETATM   50  H7  UNL     1      -1.745  -2.220   0.804  1.00  0.00           H  
HETATM   51  H8  UNL     1      -0.487   0.509   0.969  1.00  0.00           H  
HETATM   52  H9  UNL     1      -0.684  -1.819   2.981  1.00  0.00           H  
HETATM   53  H10 UNL     1      -1.908  -0.431   2.893  1.00  0.00           H  
HETATM   54  H11 UNL     1       0.151   0.871   2.946  1.00  0.00           H  
HETATM   55  H12 UNL     1       1.278   0.673   0.029  1.00  0.00           H  
HETATM   56  H13 UNL     1       3.139   1.123  -0.030  1.00  0.00           H  
HETATM   57  H14 UNL     1       4.487  -0.798  -1.866  1.00  0.00           H  
HETATM   58  H15 UNL     1       3.707   2.161  -2.213  1.00  0.00           H  
HETATM   59  H16 UNL     1       2.765   0.754  -2.749  1.00  0.00           H  
HETATM   60  H17 UNL     1       4.692   1.874  -4.035  1.00  0.00           H  
HETATM   61  H18 UNL     1       6.973   1.806  -0.170  1.00  0.00           H  
HETATM   62  H19 UNL     1       5.790   3.584  -0.295  1.00  0.00           H  
HETATM   63  H20 UNL     1       4.794   2.062   1.587  1.00  0.00           H  
HETATM   64  H21 UNL     1       7.186   0.295   1.727  1.00  0.00           H  
HETATM   65  H22 UNL     1       8.934   1.882   3.419  1.00  0.00           H  
HETATM   66  H23 UNL     1       7.954   2.197   4.871  1.00  0.00           H  
HETATM   67  H24 UNL     1       8.061   0.523   4.305  1.00  0.00           H  
HETATM   68  H25 UNL     1       5.302  -0.853   0.760  1.00  0.00           H  
HETATM   69  H26 UNL     1       3.542  -1.296   2.041  1.00  0.00           H  
HETATM   70  H27 UNL     1       1.238  -1.398  -2.022  1.00  0.00           H  
HETATM   71  H28 UNL     1      -0.751   0.853  -1.343  1.00  0.00           H  
HETATM   72  H29 UNL     1      -0.274   1.989  -4.699  1.00  0.00           H  
HETATM   73  H30 UNL     1      -1.188   2.246  -3.192  1.00  0.00           H  
HETATM   74  H31 UNL     1      -1.823   1.085  -4.370  1.00  0.00           H  
HETATM   75  H32 UNL     1      -0.960  -2.427  -1.552  1.00  0.00           H  
HETATM   76  H33 UNL     1       0.042  -3.380   0.620  1.00  0.00           H  
HETATM   77  H34 UNL     1      -5.233  -3.078  -2.327  1.00  0.00           H  
HETATM   78  H35 UNL     1      -5.369  -1.337  -3.781  1.00  0.00           H  
HETATM   79  H36 UNL     1      -5.720  -0.062  -2.516  1.00  0.00           H  
HETATM   80  H37 UNL     1      -7.256  -2.365  -3.352  1.00  0.00           H  
HETATM   81  H38 UNL     1      -7.005  -2.434  -0.801  1.00  0.00           H  
HETATM   82  H39 UNL     1      -5.937  -3.382   1.023  1.00  0.00           H  
HETATM   83  H40 UNL     1      -6.267  -1.061   1.216  1.00  0.00           H  
HETATM   84  H41 UNL     1      -7.740  -0.519  -0.322  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3    3    4
CONECT    4    5   47
CONECT    5    6   42   48
CONECT    6    7   36   49
CONECT    7    8
CONECT    8    9   34   50
CONECT    9   10   12   51
CONECT   10   11   52   53
CONECT   11   54
CONECT   12   13
CONECT   13   14   29   55
CONECT   14   15
CONECT   15   16   27   56
CONECT   16   17   19   57
CONECT   17   18   58   59
CONECT   18   60
CONECT   19   20
CONECT   20   21   22   61
CONECT   21   62
CONECT   22   23   27   63
CONECT   23   24   64
CONECT   24   25   26   26
CONECT   25   65   66   67
CONECT   27   28   68
CONECT   28   69
CONECT   29   30   34   70
CONECT   30   31   71
CONECT   31   32   33   33
CONECT   32   72   73   74
CONECT   34   35   75
CONECT   35   76
CONECT   36   37
CONECT   37   38   40   77
CONECT   38   39   78   79
CONECT   39   80
CONECT   40   41   42   81
CONECT   41   82
CONECT   42   43   83
CONECT   43   84
END
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SMILES for HMDB0003362 (Chitin)

CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
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INCHI for HMDB0003362 (Chitin)

InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(beta)-N,N',n''-triacetyl chitotrioseChEBI
beta-D-GlcNAc-(1->4)-beta-D-glcnac-(1->4)-beta-D-glcnacChEBI
beta-N,N',n''-triacetylchitotrioseChEBI
GlcNAcb1-4glcnacb1-4glcnacbChEBI
GlcNAcbeta1-4glcnacbeta1-4glcnacbetaChEBI
N,N',n''-triacetyl chitotriose beta-anomerChEBI
N-Acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamineChEBI
(b)-N,N',n''-triacetyl chitotrioseGenerator
(Β)-N,n',n''-triacetyl chitotrioseGenerator
b-D-GlcNAc-(1->4)-b-D-glcnac-(1->4)-b-D-glcnacGenerator
Β-D-glcnac-(1->4)-β-D-glcnac-(1->4)-β-D-glcnacGenerator
b-N,N',n''-triacetylchitotrioseGenerator
Β-N,n',n''-triacetylchitotrioseGenerator
N,N',n''-triacetyl chitotriose b-anomerGenerator
N,N',n''-triacetyl chitotriose β-anomerGenerator
N-Acetyl-b-D-glucosaminyl-(1->4)-N-acetyl-b-D-glucosaminyl-(1->4)-N-acetyl-b-D-glucosamineGenerator
N-Acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-β-D-glucosamineGenerator
b-D-GlcpNAc-(1->4)-b-D-glcpnac-(1->4)-b-D-glcpnacHMDB
Β-D-glcpnac-(1->4)-β-D-glcpnac-(1->4)-β-D-glcpnacHMDB
Chemical FormulaC24H41N3O16
Average Molecular Weight627.5928
Monoisotopic Molecular Weight627.248682279
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number1398-61-4
SMILES
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
InChI Identifier
InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1
InChI KeyWZZVUHWLNMNWLW-VFCSDQTKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentAcylaminosugars
Alternative Parents
Substituents
  • Oligosaccharide
  • Acylaminosugar
  • N-acyl-alpha-hexosamine
  • Glycosyl compound
  • O-glycosyl compound
  • Oxane
  • Acetamide
  • Carboxamide group
  • Hemiacetal
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Acetal
  • Carboxylic acid derivative
  • Oxacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic nitrogen compound
  • Organopnictogen compound
  • Carbonyl group
  • Alcohol
  • Primary alcohol
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility31 g/LALOGPS
logP-2.5ALOGPS
logS-0.92ALOGPS
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+231.58330932474
DeepCCS[M-H]-229.85930932474
DeepCCS[M-2H]-263.89430932474
DeepCCS[M+Na]+237.91230932474
AllCCS[M+H]+234.832859911
AllCCS[M+H-H2O]+234.032859911
AllCCS[M+NH4]+235.532859911
AllCCS[M+Na]+235.732859911
AllCCS[M-H]-236.032859911
AllCCS[M+Na-2H]-237.632859911
AllCCS[M+HCOO]-239.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ChitinCC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O5184.8Standard polar33892256
ChitinCC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O4264.9Standard non polar33892256
ChitinCC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O5107.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Chitin,1TMS,isomer #1CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4540.8Semi standard non polar33892256
Chitin,1TMS,isomer #10CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4510.9Semi standard non polar33892256
Chitin,1TMS,isomer #11CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4501.1Semi standard non polar33892256
Chitin,1TMS,isomer #2CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4528.3Semi standard non polar33892256
Chitin,1TMS,isomer #3CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4522.0Semi standard non polar33892256
Chitin,1TMS,isomer #4CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4530.9Semi standard non polar33892256
Chitin,1TMS,isomer #5CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4549.4Semi standard non polar33892256
Chitin,1TMS,isomer #6CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4544.8Semi standard non polar33892256
Chitin,1TMS,isomer #7CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4524.0Semi standard non polar33892256
Chitin,1TMS,isomer #8CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4528.0Semi standard non polar33892256
Chitin,1TMS,isomer #9CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4515.7Semi standard non polar33892256
Chitin,2TMS,isomer #1CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4382.5Semi standard non polar33892256
Chitin,2TMS,isomer #10CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4371.9Semi standard non polar33892256
Chitin,2TMS,isomer #11CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4372.1Semi standard non polar33892256
Chitin,2TMS,isomer #12CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4377.2Semi standard non polar33892256
Chitin,2TMS,isomer #13CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4365.3Semi standard non polar33892256
Chitin,2TMS,isomer #14CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4371.0Semi standard non polar33892256
Chitin,2TMS,isomer #15CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4400.5Semi standard non polar33892256
Chitin,2TMS,isomer #16CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4394.4Semi standard non polar33892256
Chitin,2TMS,isomer #17CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4370.1Semi standard non polar33892256
Chitin,2TMS,isomer #18CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4387.7Semi standard non polar33892256
Chitin,2TMS,isomer #19CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4359.6Semi standard non polar33892256
Chitin,2TMS,isomer #2CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4376.5Semi standard non polar33892256
Chitin,2TMS,isomer #20CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4370.8Semi standard non polar33892256
Chitin,2TMS,isomer #21CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4357.0Semi standard non polar33892256
Chitin,2TMS,isomer #22CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4365.5Semi standard non polar33892256
Chitin,2TMS,isomer #23CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4395.2Semi standard non polar33892256
Chitin,2TMS,isomer #24CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4388.7Semi standard non polar33892256
Chitin,2TMS,isomer #25CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4366.4Semi standard non polar33892256
Chitin,2TMS,isomer #26CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4382.9Semi standard non polar33892256
Chitin,2TMS,isomer #27CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4358.4Semi standard non polar33892256
Chitin,2TMS,isomer #28CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4370.3Semi standard non polar33892256
Chitin,2TMS,isomer #29CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4357.8Semi standard non polar33892256
Chitin,2TMS,isomer #3CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4368.7Semi standard non polar33892256
Chitin,2TMS,isomer #30CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4401.7Semi standard non polar33892256
Chitin,2TMS,isomer #31CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4384.1Semi standard non polar33892256
Chitin,2TMS,isomer #32CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4362.1Semi standard non polar33892256
Chitin,2TMS,isomer #33CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4383.3Semi standard non polar33892256
Chitin,2TMS,isomer #34CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4358.1Semi standard non polar33892256
Chitin,2TMS,isomer #35CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4397.4Semi standard non polar33892256
Chitin,2TMS,isomer #36CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4393.4Semi standard non polar33892256
Chitin,2TMS,isomer #37CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4394.4Semi standard non polar33892256
Chitin,2TMS,isomer #38CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4379.7Semi standard non polar33892256
Chitin,2TMS,isomer #39CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4398.1Semi standard non polar33892256
Chitin,2TMS,isomer #4CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4373.7Semi standard non polar33892256
Chitin,2TMS,isomer #40CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4380.7Semi standard non polar33892256
Chitin,2TMS,isomer #41CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4390.7Semi standard non polar33892256
Chitin,2TMS,isomer #42CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4388.8Semi standard non polar33892256
Chitin,2TMS,isomer #43CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4365.7Semi standard non polar33892256
Chitin,2TMS,isomer #44CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4386.8Semi standard non polar33892256
Chitin,2TMS,isomer #45CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4400.9Semi standard non polar33892256
Chitin,2TMS,isomer #46CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4357.8Semi standard non polar33892256
Chitin,2TMS,isomer #47CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4370.2Semi standard non polar33892256
Chitin,2TMS,isomer #48CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4371.5Semi standard non polar33892256
Chitin,2TMS,isomer #49CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4396.5Semi standard non polar33892256
Chitin,2TMS,isomer #5CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4383.8Semi standard non polar33892256
Chitin,2TMS,isomer #50CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4383.1Semi standard non polar33892256
Chitin,2TMS,isomer #51CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4406.8Semi standard non polar33892256
Chitin,2TMS,isomer #52CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4371.9Semi standard non polar33892256
Chitin,2TMS,isomer #53CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4388.2Semi standard non polar33892256
Chitin,2TMS,isomer #54CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4366.1Semi standard non polar33892256
Chitin,2TMS,isomer #55CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4377.8Semi standard non polar33892256
Chitin,2TMS,isomer #6CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O4413.2Semi standard non polar33892256
Chitin,2TMS,isomer #7CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4408.4Semi standard non polar33892256
Chitin,2TMS,isomer #8CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4388.1Semi standard non polar33892256
Chitin,2TMS,isomer #9CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4399.4Semi standard non polar33892256
Chitin,3TMS,isomer #1CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4294.5Semi standard non polar33892256
Chitin,3TMS,isomer #10CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4282.7Semi standard non polar33892256
Chitin,3TMS,isomer #100CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4328.6Semi standard non polar33892256
Chitin,3TMS,isomer #101CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4303.9Semi standard non polar33892256
Chitin,3TMS,isomer #102CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4326.9Semi standard non polar33892256
Chitin,3TMS,isomer #103CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4304.1Semi standard non polar33892256
Chitin,3TMS,isomer #104CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4291.4Semi standard non polar33892256
Chitin,3TMS,isomer #105CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4319.3Semi standard non polar33892256
Chitin,3TMS,isomer #106CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4323.4Semi standard non polar33892256
Chitin,3TMS,isomer #107CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4271.2Semi standard non polar33892256
Chitin,3TMS,isomer #108CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4287.7Semi standard non polar33892256
Chitin,3TMS,isomer #109CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4266.3Semi standard non polar33892256
Chitin,3TMS,isomer #11CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4281.3Semi standard non polar33892256
Chitin,3TMS,isomer #110CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4287.3Semi standard non polar33892256
Chitin,3TMS,isomer #111CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4346.8Semi standard non polar33892256
Chitin,3TMS,isomer #112CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4333.7Semi standard non polar33892256
Chitin,3TMS,isomer #113CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4294.4Semi standard non polar33892256
Chitin,3TMS,isomer #114CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4314.8Semi standard non polar33892256
Chitin,3TMS,isomer #115CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4280.5Semi standard non polar33892256
Chitin,3TMS,isomer #116CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4332.8Semi standard non polar33892256
Chitin,3TMS,isomer #117CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4323.2Semi standard non polar33892256
Chitin,3TMS,isomer #118CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4277.7Semi standard non polar33892256
Chitin,3TMS,isomer #119CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4292.6Semi standard non polar33892256
Chitin,3TMS,isomer #12CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4286.1Semi standard non polar33892256
Chitin,3TMS,isomer #120CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4302.7Semi standard non polar33892256
Chitin,3TMS,isomer #121CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4336.0Semi standard non polar33892256
Chitin,3TMS,isomer #122CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4311.8Semi standard non polar33892256
Chitin,3TMS,isomer #123CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4331.5Semi standard non polar33892256
Chitin,3TMS,isomer #124CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4307.6Semi standard non polar33892256
Chitin,3TMS,isomer #125CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C4297.5Semi standard non polar33892256
Chitin,3TMS,isomer #126CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4326.6Semi standard non polar33892256
Chitin,3TMS,isomer #127CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4317.4Semi standard non polar33892256
Chitin,3TMS,isomer #128CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4267.7Semi standard non polar33892256
Chitin,3TMS,isomer #129CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4280.7Semi standard non polar33892256
Chitin,3TMS,isomer #13CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O4333.6Semi standard non polar33892256
Chitin,3TMS,isomer #130CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4271.4Semi standard non polar33892256
Chitin,3TMS,isomer #131CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4327.2Semi standard non polar33892256
Chitin,3TMS,isomer #132CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4322.5Semi standard non polar33892256
Chitin,3TMS,isomer #133CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4306.8Semi standard non polar33892256
Chitin,3TMS,isomer #134CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4341.0Semi standard non polar33892256
Chitin,3TMS,isomer #135CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4308.2Semi standard non polar33892256
Chitin,3TMS,isomer #136CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O[Si](C)(C)C4314.2Semi standard non polar33892256
Chitin,3TMS,isomer #137CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4294.4Semi standard non polar33892256
Chitin,3TMS,isomer #138CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4309.9Semi standard non polar33892256
Chitin,3TMS,isomer #139CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4330.8Semi standard non polar33892256
Chitin,3TMS,isomer #14CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4323.5Semi standard non polar33892256
Chitin,3TMS,isomer #140CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4285.7Semi standard non polar33892256
Chitin,3TMS,isomer #141CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4309.9Semi standard non polar33892256
Chitin,3TMS,isomer #142CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4335.4Semi standard non polar33892256
Chitin,3TMS,isomer #143CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4263.6Semi standard non polar33892256
Chitin,3TMS,isomer #144CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4269.9Semi standard non polar33892256
Chitin,3TMS,isomer #145CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4266.2Semi standard non polar33892256
Chitin,3TMS,isomer #146CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4323.8Semi standard non polar33892256
Chitin,3TMS,isomer #147CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4299.5Semi standard non polar33892256
Chitin,3TMS,isomer #148CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4335.2Semi standard non polar33892256
Chitin,3TMS,isomer #149CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4337.1Semi standard non polar33892256
Chitin,3TMS,isomer #15CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4288.2Semi standard non polar33892256
Chitin,3TMS,isomer #150CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4323.0Semi standard non polar33892256
Chitin,3TMS,isomer #151CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4307.5Semi standard non polar33892256
Chitin,3TMS,isomer #152CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4324.1Semi standard non polar33892256
Chitin,3TMS,isomer #153CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4284.4Semi standard non polar33892256
Chitin,3TMS,isomer #154CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4252.3Semi standard non polar33892256
Chitin,3TMS,isomer #155CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4292.4Semi standard non polar33892256
Chitin,3TMS,isomer #156CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4302.4Semi standard non polar33892256
Chitin,3TMS,isomer #157CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4315.4Semi standard non polar33892256
Chitin,3TMS,isomer #158CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4329.5Semi standard non polar33892256
Chitin,3TMS,isomer #159CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4308.1Semi standard non polar33892256
Chitin,3TMS,isomer #16CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4302.7Semi standard non polar33892256
Chitin,3TMS,isomer #160CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4277.2Semi standard non polar33892256
Chitin,3TMS,isomer #161CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4290.7Semi standard non polar33892256
Chitin,3TMS,isomer #162CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4280.5Semi standard non polar33892256
Chitin,3TMS,isomer #163CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4304.9Semi standard non polar33892256
Chitin,3TMS,isomer #164CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4285.7Semi standard non polar33892256
Chitin,3TMS,isomer #165CC(=O)N([C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C4282.8Semi standard non polar33892256
Chitin,3TMS,isomer #17CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4267.7Semi standard non polar33892256
Chitin,3TMS,isomer #18CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4277.9Semi standard non polar33892256
Chitin,3TMS,isomer #19CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4285.1Semi standard non polar33892256
Chitin,3TMS,isomer #2CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4282.5Semi standard non polar33892256
Chitin,3TMS,isomer #20CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4323.0Semi standard non polar33892256
Chitin,3TMS,isomer #21CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4319.8Semi standard non polar33892256
Chitin,3TMS,isomer #22CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4287.6Semi standard non polar33892256
Chitin,3TMS,isomer #23CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4362.0Semi standard non polar33892256
Chitin,3TMS,isomer #24CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4270.2Semi standard non polar33892256
Chitin,3TMS,isomer #25CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4285.0Semi standard non polar33892256
Chitin,3TMS,isomer #26CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4325.4Semi standard non polar33892256
Chitin,3TMS,isomer #27CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3NC(C)=O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4324.7Semi standard non polar33892256
Chitin,3TMS,isomer #28CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4294.4Semi standard non polar33892256
Chitin,3TMS,isomer #29CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4300.9Semi standard non polar33892256
Chitin,3TMS,isomer #3CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4292.3Semi standard non polar33892256
Chitin,3TMS,isomer #30CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4316.3Semi standard non polar33892256
Chitin,3TMS,isomer #31CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O4344.1Semi standard non polar33892256
Chitin,3TMS,isomer #32CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4333.4Semi standard non polar33892256
Chitin,3TMS,isomer #33CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4288.5Semi standard non polar33892256
Chitin,3TMS,isomer #34CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4302.9Semi standard non polar33892256
Chitin,3TMS,isomer #35CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4273.8Semi standard non polar33892256
Chitin,3TMS,isomer #36CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4321.7Semi standard non polar33892256
Chitin,3TMS,isomer #37CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4295.4Semi standard non polar33892256
Chitin,3TMS,isomer #38CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4328.8Semi standard non polar33892256
Chitin,3TMS,isomer #39CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4297.6Semi standard non polar33892256
Chitin,3TMS,isomer #4CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4294.6Semi standard non polar33892256
Chitin,3TMS,isomer #40CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3NC(C)=O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4287.2Semi standard non polar33892256
Chitin,3TMS,isomer #41CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4322.1Semi standard non polar33892256
Chitin,3TMS,isomer #42CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4330.6Semi standard non polar33892256
Chitin,3TMS,isomer #43CC(=O)N[C@H]1[C@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4268.6Semi standard non polar33892256
Chitin,3TMS,isomer #44CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4298.6Semi standard non polar33892256
Chitin,3TMS,isomer #45CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4277.9Semi standard non polar33892256
Chitin,3TMS,isomer #46CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4297.2Semi standard non polar33892256
Chitin,3TMS,isomer #47CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4293.2Semi standard non polar33892256
Chitin,3TMS,isomer #48CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4297.0Semi standard non polar33892256
Chitin,3TMS,isomer #49CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4343.9Semi standard non polar33892256
Chitin,3TMS,isomer #5CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O4341.3Semi standard non polar33892256
Chitin,3TMS,isomer #50CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4328.2Semi standard non polar33892256
Chitin,3TMS,isomer #51CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4289.0Semi standard non polar33892256
Chitin,3TMS,isomer #52CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4311.2Semi standard non polar33892256
Chitin,3TMS,isomer #53CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4276.7Semi standard non polar33892256
Chitin,3TMS,isomer #54CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4289.9Semi standard non polar33892256
Chitin,3TMS,isomer #55CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4294.6Semi standard non polar33892256
Chitin,3TMS,isomer #56CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4340.1Semi standard non polar33892256
Chitin,3TMS,isomer #57CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4332.6Semi standard non polar33892256
Chitin,3TMS,isomer #58CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4300.2Semi standard non polar33892256
Chitin,3TMS,isomer #59CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4317.7Semi standard non polar33892256
Chitin,3TMS,isomer #6CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4331.5Semi standard non polar33892256
Chitin,3TMS,isomer #60CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4282.6Semi standard non polar33892256
Chitin,3TMS,isomer #61CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4279.9Semi standard non polar33892256
Chitin,3TMS,isomer #62CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4329.2Semi standard non polar33892256
Chitin,3TMS,isomer #63CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4324.3Semi standard non polar33892256
Chitin,3TMS,isomer #64CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4285.7Semi standard non polar33892256
Chitin,3TMS,isomer #65CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4294.7Semi standard non polar33892256
Chitin,3TMS,isomer #66CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4299.3Semi standard non polar33892256
Chitin,3TMS,isomer #67CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4345.1Semi standard non polar33892256
Chitin,3TMS,isomer #68CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4328.2Semi standard non polar33892256
Chitin,3TMS,isomer #69CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4288.4Semi standard non polar33892256
Chitin,3TMS,isomer #7CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4290.6Semi standard non polar33892256
Chitin,3TMS,isomer #70CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4312.4Semi standard non polar33892256
Chitin,3TMS,isomer #71CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4274.5Semi standard non polar33892256
Chitin,3TMS,isomer #72CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4326.4Semi standard non polar33892256
Chitin,3TMS,isomer #73CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4299.4Semi standard non polar33892256
Chitin,3TMS,isomer #74CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4328.7Semi standard non polar33892256
Chitin,3TMS,isomer #75CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4297.0Semi standard non polar33892256
Chitin,3TMS,isomer #76CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4287.0Semi standard non polar33892256
Chitin,3TMS,isomer #77CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4321.0Semi standard non polar33892256
Chitin,3TMS,isomer #78CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4317.9Semi standard non polar33892256
Chitin,3TMS,isomer #79CC(=O)N[C@H]1[C@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4273.1Semi standard non polar33892256
Chitin,3TMS,isomer #8CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4301.9Semi standard non polar33892256
Chitin,3TMS,isomer #80CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4289.2Semi standard non polar33892256
Chitin,3TMS,isomer #81CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4271.8Semi standard non polar33892256
Chitin,3TMS,isomer #82CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4291.8Semi standard non polar33892256
Chitin,3TMS,isomer #83CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4294.4Semi standard non polar33892256
Chitin,3TMS,isomer #84CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4339.9Semi standard non polar33892256
Chitin,3TMS,isomer #85CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4329.5Semi standard non polar33892256
Chitin,3TMS,isomer #86CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4296.5Semi standard non polar33892256
Chitin,3TMS,isomer #87CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4311.1Semi standard non polar33892256
Chitin,3TMS,isomer #88CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4276.8Semi standard non polar33892256
Chitin,3TMS,isomer #89CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4285.5Semi standard non polar33892256
Chitin,3TMS,isomer #9CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4273.8Semi standard non polar33892256
Chitin,3TMS,isomer #90CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O4333.2Semi standard non polar33892256
Chitin,3TMS,isomer #91CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C4326.5Semi standard non polar33892256
Chitin,3TMS,isomer #92CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4288.1Semi standard non polar33892256
Chitin,3TMS,isomer #93CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4295.2Semi standard non polar33892256
Chitin,3TMS,isomer #94CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4297.2Semi standard non polar33892256
Chitin,3TMS,isomer #95CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O4351.9Semi standard non polar33892256
Chitin,3TMS,isomer #96CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4331.1Semi standard non polar33892256
Chitin,3TMS,isomer #97CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C)[C@@H]1O4288.5Semi standard non polar33892256
Chitin,3TMS,isomer #98CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4308.1Semi standard non polar33892256
Chitin,3TMS,isomer #99CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O4278.0Semi standard non polar33892256
Chitin,1TBDMS,isomer #1CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4696.8Semi standard non polar33892256
Chitin,1TBDMS,isomer #10CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4700.5Semi standard non polar33892256
Chitin,1TBDMS,isomer #11CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4687.7Semi standard non polar33892256
Chitin,1TBDMS,isomer #2CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4711.4Semi standard non polar33892256
Chitin,1TBDMS,isomer #3CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4697.2Semi standard non polar33892256
Chitin,1TBDMS,isomer #4CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4708.7Semi standard non polar33892256
Chitin,1TBDMS,isomer #5CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4713.5Semi standard non polar33892256
Chitin,1TBDMS,isomer #6CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4719.0Semi standard non polar33892256
Chitin,1TBDMS,isomer #7CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4697.5Semi standard non polar33892256
Chitin,1TBDMS,isomer #8CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4701.4Semi standard non polar33892256
Chitin,1TBDMS,isomer #9CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4696.9Semi standard non polar33892256
Chitin,2TBDMS,isomer #1CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4747.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #10CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4751.1Semi standard non polar33892256
Chitin,2TBDMS,isomer #11CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4765.0Semi standard non polar33892256
Chitin,2TBDMS,isomer #12CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4756.2Semi standard non polar33892256
Chitin,2TBDMS,isomer #13CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4747.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #14CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4771.4Semi standard non polar33892256
Chitin,2TBDMS,isomer #15CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4778.9Semi standard non polar33892256
Chitin,2TBDMS,isomer #16CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4776.0Semi standard non polar33892256
Chitin,2TBDMS,isomer #17CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4773.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #18CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4776.9Semi standard non polar33892256
Chitin,2TBDMS,isomer #19CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4762.9Semi standard non polar33892256
Chitin,2TBDMS,isomer #2CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4737.3Semi standard non polar33892256
Chitin,2TBDMS,isomer #20CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4755.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #21CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4746.1Semi standard non polar33892256
Chitin,2TBDMS,isomer #22CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4768.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #23CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4775.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #24CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4771.0Semi standard non polar33892256
Chitin,2TBDMS,isomer #25CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4769.1Semi standard non polar33892256
Chitin,2TBDMS,isomer #26CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4771.7Semi standard non polar33892256
Chitin,2TBDMS,isomer #27CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4757.1Semi standard non polar33892256
Chitin,2TBDMS,isomer #28CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4758.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #29CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4746.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #3CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4718.9Semi standard non polar33892256
Chitin,2TBDMS,isomer #30CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4775.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #31CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4774.3Semi standard non polar33892256
Chitin,2TBDMS,isomer #32CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4767.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #33CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4775.1Semi standard non polar33892256
Chitin,2TBDMS,isomer #34CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4763.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #35CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4765.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #36CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4754.7Semi standard non polar33892256
Chitin,2TBDMS,isomer #37CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4751.4Semi standard non polar33892256
Chitin,2TBDMS,isomer #38CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4762.6Semi standard non polar33892256
Chitin,2TBDMS,isomer #39CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4771.1Semi standard non polar33892256
Chitin,2TBDMS,isomer #4CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4728.1Semi standard non polar33892256
Chitin,2TBDMS,isomer #40CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4762.9Semi standard non polar33892256
Chitin,2TBDMS,isomer #41CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4763.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #42CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4755.3Semi standard non polar33892256
Chitin,2TBDMS,isomer #43CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4755.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #44CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4765.0Semi standard non polar33892256
Chitin,2TBDMS,isomer #45CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4783.7Semi standard non polar33892256
Chitin,2TBDMS,isomer #46CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4735.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #47CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4753.7Semi standard non polar33892256
Chitin,2TBDMS,isomer #48CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4750.6Semi standard non polar33892256
Chitin,2TBDMS,isomer #49CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O4772.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #5CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4753.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #50CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4766.6Semi standard non polar33892256
Chitin,2TBDMS,isomer #51CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4773.7Semi standard non polar33892256
Chitin,2TBDMS,isomer #52CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4756.5Semi standard non polar33892256
Chitin,2TBDMS,isomer #53CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4768.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #54CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4755.8Semi standard non polar33892256
Chitin,2TBDMS,isomer #55CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4764.4Semi standard non polar33892256
Chitin,2TBDMS,isomer #6CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O4760.7Semi standard non polar33892256
Chitin,2TBDMS,isomer #7CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2NC(C)=O)[C@@H]1O4760.6Semi standard non polar33892256
Chitin,2TBDMS,isomer #8CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@@H]1O4762.6Semi standard non polar33892256
Chitin,2TBDMS,isomer #9CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O4756.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_1_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chitin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 10V, Negative-QTOFsplash10-006w-1352911000-863eeeb6aa19c4b1a13e2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 20V, Negative-QTOFsplash10-0a4i-2344295000-9c0b132184373172725c2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 40V, Negative-QTOFsplash10-0zfr-4957010000-d6d15cd685b32cc6a8cd2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 10V, Negative-QTOFsplash10-00ai-0000190000-6edcc24d4bf1dd7ae8652021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 20V, Negative-QTOFsplash10-0a4i-5001391000-7e5b14aac0963d66ab7e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 40V, Negative-QTOFsplash10-0abc-9022240000-288bdbd056f808dedbb72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 10V, Positive-QTOFsplash10-01si-0020195000-2e6a56a958abe902a3e92017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 20V, Positive-QTOFsplash10-11ec-0273492000-ace7f79ec49825bd5fd62017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 40V, Positive-QTOFsplash10-0zmr-6594462000-c3586d5d836795b9e53a2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 10V, Positive-QTOFsplash10-116r-0251519000-1653bc016143a14464682021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 20V, Positive-QTOFsplash10-0m99-3941354000-8656850f46179cee5b752021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chitin 40V, Positive-QTOFsplash10-01qi-7900000000-d7d93fd040c9f9381f772021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
Biospecimen LocationsNot Available
Tissue Locations
  • Fibroblasts
  • Intestine
  • Spleen
  • Testis
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB04194
Phenol Explorer Compound IDNot Available
FooDB IDFDB023154
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkChitin
METLIN IDNot Available
PubChem Compound444514
PDB IDNot Available
ChEBI ID71404
Food Biomarker OntologyNot Available
VMH IDM01436
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceKurita, Keisuke; Koyama, Yoshiyuki; Nishimura, Shinichiro; Kamiya, Mami. Facile preparation of water-soluble chitin from chitosan. Chemistry Letters (1989), (9), 1597-8.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Gheri G, Sgambati E, Thyrion GD, Vichi D, Orlandini GE: The oligosaccharidic content of the glycoconjugates of the prepubertal descended and undescended testis: lectin histochemical study. Ital J Anat Embryol. 2004 Apr-Jun;109(2):69-84. [PubMed:15481156 ]
  2. Hatcher VB, Schwarzmann GO, Jeanloz RW, McArthur JW: Changes in the sialic acid concentration in the major cervical glycoprotein from the bonnet monkey (Macaca radiata) during a hormonally induced cycle. Fertil Steril. 1977 Jun;28(6):682-8. [PubMed:405259 ]
  3. Collard CD, Montalto MC, Reenstra WR, Buras JA, Stahl GL: Endothelial oxidative stress activates the lectin complement pathway: role of cytokeratin 1. Am J Pathol. 2001 Sep;159(3):1045-54. [PubMed:11549596 ]
  4. Nakajima M, Atsumi K, Kifune K, Miura K, Kanamaru H: Chitin is an effective material for sutures. Jpn J Surg. 1986 Nov;16(6):418-24. [PubMed:3820865 ]
  5. Soule JB, Halverson AL, Becker RB, Pistole MC, Orenstein JM: A patient with acquired immunodeficiency syndrome and untreated Encephalitozoon (Septata) intestinalis microsporidiosis leading to small bowel perforation. Response to albendazole. Arch Pathol Lab Med. 1997 Aug;121(8):880-7. [PubMed:9278619 ]
  6. Piskun RP, Pentiuk AA, Serkova VK, Polesia TL, Savitskaia EA: [Enterosorbents in the treatment of atherosclerosis]. Eksp Klin Farmakol. 1998 Mar-Apr;61(2):69-74. [PubMed:9621181 ]
  7. Kawashita M, Nakao M, Minoda M, Kim HM, Beppu T, Miyamoto T, Kokubo T, Nakamura T: Apatite-forming ability of carboxyl group-containing polymer gels in a simulated body fluid. Biomaterials. 2003 Jun;24(14):2477-84. [PubMed:12695074 ]
  8. Howling GI, Dettmar PW, Goddard PA, Hampson FC, Dornish M, Wood EJ: The effect of chitin and chitosan on the proliferation of human skin fibroblasts and keratinocytes in vitro. Biomaterials. 2001 Nov;22(22):2959-66. [PubMed:11575470 ]
  9. Vasstrand EN, Jensen HB: Affinity chromatography of human saliva lysozyme and effect of pH and ionic strength on lytic activity. Scand J Dent Res. 1980 Jun;88(3):219-28. [PubMed:6932088 ]
  10. Shibuya N, Nakamura K, Ogoshi K, Ohta T, Hori Y, Kodama K, Yamamoto M: Modification of mutagenic activities of pro-mutagens by glyco-ursodeoxycholic acid in the Ames assay. Tohoku J Exp Med. 1999 Sep;189(1):1-9. [PubMed:10622203 ]
  11. Ishihara C, Yoshimatsu K, Tsuji M, Arikawa J, Saiki I, Tokura S, Azuma I: Anti-viral activity of sulfated chitin derivatives against Friend murine leukaemia and herpes simplex type-1 viruses. Vaccine. 1993;11(6):670-4. [PubMed:8391740 ]
  12. Zampini M, Pruzzo C, Bondre VP, Tarsi R, Cosmo M, Bacciaglia A, Chhabra A, Srivastava R, Srivastava BS: Vibrio cholerae persistence in aquatic environments and colonization of intestinal cells: involvement of a common adhesion mechanism. FEMS Microbiol Lett. 2005 Mar 15;244(2):267-73. [PubMed:15766778 ]
  13. Xu Y, Olman V, Xu D: Clustering gene expression data using a graph-theoretic approach: an application of minimum spanning trees. Bioinformatics. 2002 Apr;18(4):536-45. [PubMed:12016051 ]
  14. Sharaev PN, Strelkov NS, Sannikova AA, Zvorykin IA, Men'shikova NN, Sakhabutdinova EP, Gabdrakhmanova NK: [The method for detection of urinary lysozyme]. Klin Lab Diagn. 2001 Apr;(4):52-3. [PubMed:11393034 ]
  15. Farnia P, Mohammadi F, Zarifi Z, Tabatabee DJ, Ganavi J, Ghazisaeedi K, Farnia PK, Gheydi M, Bahadori M, Masjedi MR, Velayati AA: Improving sensitivity of direct microscopy for detection of acid-fast bacilli in sputum: use of chitin in mucus digestion. J Clin Microbiol. 2002 Feb;40(2):508-11. [PubMed:11825964 ]
  16. Sano H, Matsukubo T, Shibasaki K, Itoi H, Takaesu Y: Inhibition of adsorption of oral streptococci to saliva treated hydroxyapatite by chitin derivatives. Bull Tokyo Dent Coll. 1991 Feb;32(1):9-17. [PubMed:1668072 ]
  17. Johnson SM, Pappagianis D: The coccidioidal complement fixation and immunodiffusion-complement fixation antigen is a chitinase. Infect Immun. 1992 Jul;60(7):2588-92. [PubMed:1612728 ]

Enzymes

Enzyme Details
1. N-acetyl-D-glucosamine kinase
General function:
Carbohydrate transport and metabolism
Specific function:
Converts endogenous N-acetylglucosamine (GlcNAc), a major component of complex carbohydrates, from lysosomal degradation or nutritional sources into GlcNAc 6-phosphate. Involved in the N-glycolylneuraminic acid (Neu5Gc) degradation pathway: although human is not able to catalyze formation of Neu5Gc due to the inactive CMAHP enzyme, Neu5Gc is present in food and must be degraded. Also has ManNAc kinase activity.
Gene Name:
NAGK
Uniprot ID:
Q9UJ70
Molecular weight:
42037.295
Enzyme Details
2. Acidic mammalian chitinase
General function:
Involved in chitin binding
Specific function:
Degrades chitin and chitotriose. May participate in the defense against nematodes, fungi and other pathogens. Plays a role in T-helper cell type 2 (Th2) immune response. Contributes to the response to IL-13 and inflammation in response to IL-13. Stimulates chemokine production by pulmonary epithelial cells. Protects lung epithelial cells against apoptosis and promotes phosphorylation of AKT1. Its function in the inflammatory response and in protecting cells against apoptosis is inhibited by allosamidin, suggesting that the function of this protein depends on carbohydrate binding.
Gene Name:
CHIA
Uniprot ID:
Q9BZP6
Molecular weight:
Not Available
Enzyme Details
3. Chitotriosidase-1
General function:
Involved in chitin binding
Specific function:
Degrades chitin, chitotriose and chitobiose. May participate in the defense against nematodes and other pathogens. Isoform 3 has no enzymatic activity.
Gene Name:
CHIT1
Uniprot ID:
Q13231
Molecular weight:
Not Available
Enzyme Details
4. Chitinase family protein 3
General function:
Involved in chitin binding
Specific function:
Not Available
Gene Name:
Not Available
Uniprot ID:
Q2VT96
Molecular weight:
46615.5
Enzyme Details
5. Chitinase family protein V2
General function:
Involved in chitin binding
Specific function:
Not Available
Gene Name:
Not Available
Uniprot ID:
Q1M0P3
Molecular weight:
33762.3
Enzyme Details
6. Chitinase family protein V1
General function:
Involved in chitin binding
Specific function:
Not Available
Gene Name:
Not Available
Uniprot ID:
Q1M0P4
Molecular weight:
33747.3
Enzyme Details
7. CHIA protein
General function:
Involved in chitin binding
Specific function:
Not Available
Gene Name:
CHIA
Uniprot ID:
A5D6V7
Molecular weight:
44306.1
Enzyme Details
8. Chitinase, acidic
General function:
Involved in chitin binding
Specific function:
Not Available
Gene Name:
CHIA
Uniprot ID:
Q5VUV5
Molecular weight:
45461.2