NP-MRD: Showing NP-Card for trehalose-trans-keto-mono-mycolate (NP0339955)

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Record Information

Version

2.0

Created at

2024-09-12 00:26:13 UTC

Updated at

2024-09-12 00:26:13 UTC

NP-MRD ID

NP0339955

Secondary Accession Numbers

None

Natural Product Identification

Common Name

trehalose-trans-keto-mono-mycolate

Description

Based on a literature review very few articles have been published on trehalose-trans-keto-mono-mycolate.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05272302582D          

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M  END


  Mrv2104 05272302582D          

112114  0  0  0  0            999 V2000
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   42.0613   14.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2559   14.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.6189   14.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4243   14.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   43.5482   18.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3004   19.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8579   20.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6101   21.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1677   21.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9199   22.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4775   23.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2297   23.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7872   24.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   45.0970   25.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8492   26.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0339955

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1/C98H188O14/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-39-45-51-57-63-69-75-84(96(108)109-80-89-91(103)93(105)95(107)98(111-89)112-97-94(106)92(104)90(102)88(79-99)110-97)87(101)77-71-65-59-53-47-41-35-33-38-44-50-56-62-68-74-83-78-85(83)81(3)72-66-60-54-48-42-36-32-34-40-46-52-58-64-70-76-86(100)82(4)73-67-61-55-49-43-37-30-20-18-16-14-12-10-8-6-2/h81-85,87-95,97-99,101-107H,5-80H2,1-4H3

> <INCHI_KEY>
ZHIKIEYTXXJMOG-UHFFFAOYNA-N

> <FORMULA>
C98H188O14

> <MOLECULAR_WEIGHT>
1590.568

> <EXACT_MASS>
1589.399910734

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
300

> <JCHEM_AVERAGE_POLARIZABILITY>
211.54312945331597

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-{1-hydroxy-17-[2-(20-methyl-19-oxoheptatriacontan-2-yl)cyclopropyl]heptadecyl}octacosanoate

> <JCHEM_LOGP>
30.187917414333345

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.42774519438257

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.905986631106929

> <JCHEM_PKA_STRONGEST_BASIC>
-2.931822510986575

> <JCHEM_POLAR_SURFACE_AREA>
232.89999999999995

> <JCHEM_REFRACTIVITY>
464.1425999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
85

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-{1-hydroxy-17-[2-(20-methyl-19-oxoheptatriacontan-2-yl)cyclopropyl]heptadecyl}octacosanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-23         0                                  
HETATM    1  C   UNK     0      42.215   1.469   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      42.678   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      44.181  -0.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      44.644  -1.803   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      46.147  -2.137   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      46.610  -3.605   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      48.113  -3.939   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      48.576  -5.408   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      50.079  -5.742   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      50.542  -7.211   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      52.045  -7.545   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      52.508  -9.014   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      54.011  -9.347   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      54.473 -10.816   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      55.977 -11.150   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      56.439 -12.619   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      57.943 -12.953   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      58.405 -14.422   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      59.909 -14.756   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      60.371 -16.224   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      61.875 -16.558   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      62.337 -18.027   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      63.841 -18.361   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      64.303 -19.830   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      65.807 -20.164   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      66.269 -21.633   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      67.773 -21.966   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      68.235 -23.435   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      67.194 -24.570   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      69.739 -23.769   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      70.779 -22.634   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      72.283 -22.968   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      73.324 -21.833   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      72.861 -20.364   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      74.827 -22.167   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      75.868 -21.032   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      75.290 -23.636   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      76.793 -23.970   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      74.249 -24.771   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      74.711 -26.240   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      73.670 -27.375   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      74.133 -28.844   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      75.636 -29.177   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      73.092 -29.979   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      73.555 -31.447   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      71.589 -29.645   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      70.548 -30.780   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      71.126 -28.176   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      69.623 -27.842   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      69.160 -26.373   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      72.167 -27.041   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      72.745 -24.437   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      68.813 -20.831   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      70.317 -21.165   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      68.351 -19.363   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      69.392 -18.228   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      68.929 -16.759   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      69.970 -15.624   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      69.507 -14.155   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      70.548 -13.020   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      70.086 -11.551   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      71.126 -10.416   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      70.664  -8.947   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      71.705  -7.812   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      71.242  -6.343   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      72.283  -5.208   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      71.820  -3.739   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      72.861  -2.604   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      72.398  -1.135   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      73.439   0.000   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      72.977   1.469   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      71.842   2.510   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      73.310   2.972   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      74.351   4.107   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      75.855   3.773   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      73.889   5.576   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      74.929   6.711   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      74.467   8.180   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      75.508   9.315   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      75.045  10.784   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0      76.086  11.919   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      75.623  13.388   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0      76.664  14.523   0.000  0.00  0.00           C+0
HETATM   84  C   UNK     0      76.202  15.992   0.000  0.00  0.00           C+0
HETATM   85  C   UNK     0      77.242  17.127   0.000  0.00  0.00           C+0
HETATM   86  C   UNK     0      76.780  18.596   0.000  0.00  0.00           C+0
HETATM   87  C   UNK     0      77.821  19.731   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      77.358  21.200   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      78.399  22.335   0.000  0.00  0.00           C+0
HETATM   90  C   UNK     0      77.936  23.804   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      78.977  24.939   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0      78.514  26.408   0.000  0.00  0.00           C+0
HETATM   93  O   UNK     0      77.011  26.741   0.000  0.00  0.00           O+0
HETATM   94  C   UNK     0      79.555  27.543   0.000  0.00  0.00           C+0
HETATM   95  C   UNK     0      81.059  27.209   0.000  0.00  0.00           C+0
HETATM   96  C   UNK     0      79.093  29.012   0.000  0.00  0.00           C+0
HETATM   97  C   UNK     0      80.134  30.147   0.000  0.00  0.00           C+0
HETATM   98  C   UNK     0      79.671  31.616   0.000  0.00  0.00           C+0
HETATM   99  C   UNK     0      80.712  32.751   0.000  0.00  0.00           C+0
HETATM  100  C   UNK     0      80.249  34.219   0.000  0.00  0.00           C+0
HETATM  101  C   UNK     0      81.290  35.354   0.000  0.00  0.00           C+0
HETATM  102  C   UNK     0      80.827  36.823   0.000  0.00  0.00           C+0
HETATM  103  C   UNK     0      81.868  37.958   0.000  0.00  0.00           C+0
HETATM  104  C   UNK     0      81.406  39.427   0.000  0.00  0.00           C+0
HETATM  105  C   UNK     0      82.446  40.562   0.000  0.00  0.00           C+0
HETATM  106  C   UNK     0      81.984  42.031   0.000  0.00  0.00           C+0
HETATM  107  C   UNK     0      83.025  43.166   0.000  0.00  0.00           C+0
HETATM  108  C   UNK     0      82.562  44.635   0.000  0.00  0.00           C+0
HETATM  109  C   UNK     0      83.603  45.770   0.000  0.00  0.00           C+0
HETATM  110  C   UNK     0      83.140  47.239   0.000  0.00  0.00           C+0
HETATM  111  C   UNK     0      84.181  48.374   0.000  0.00  0.00           C+0
HETATM  112  C   UNK     0      83.718  49.843   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   53                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   52                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   52                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42   51                                                  
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   51                                                  
CONECT   49   48   50                                                       
CONECT   50   49                                                            
CONECT   51   48   41                                                       
CONECT   52   39   32                                                       
CONECT   53   27   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61   63                                                       
CONECT   63   62   64                                                       
CONECT   64   63   65                                                       
CONECT   65   64   66                                                       
CONECT   66   65   67                                                       
CONECT   67   66   68                                                       
CONECT   68   67   69                                                       
CONECT   69   68   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72   73                                                  
CONECT   72   71   73                                                       
CONECT   73   72   71   74                                                  
CONECT   74   73   75   76                                                  
CONECT   75   74                                                            
CONECT   76   74   77                                                       
CONECT   77   76   78                                                       
CONECT   78   77   79                                                       
CONECT   79   78   80                                                       
CONECT   80   79   81                                                       
CONECT   81   80   82                                                       
CONECT   82   81   83                                                       
CONECT   83   82   84                                                       
CONECT   84   83   85                                                       
CONECT   85   84   86                                                       
CONECT   86   85   87                                                       
CONECT   87   86   88                                                       
CONECT   88   87   89                                                       
CONECT   89   88   90                                                       
CONECT   90   89   91                                                       
CONECT   91   90   92                                                       
CONECT   92   91   93   94                                                  
CONECT   93   92                                                            
CONECT   94   92   95   96                                                  
CONECT   95   94                                                            
CONECT   96   94   97                                                       
CONECT   97   96   98                                                       
CONECT   98   97   99                                                       
CONECT   99   98  100                                                       
CONECT  100   99  101                                                       
CONECT  101  100  102                                                       
CONECT  102  101  103                                                       
CONECT  103  102  104                                                       
CONECT  104  103  105                                                       
CONECT  105  104  106                                                       
CONECT  106  105  107                                                       
CONECT  107  106  108                                                       
CONECT  108  107  109                                                       
CONECT  109  108  110                                                       
CONECT  110  109  111                                                       
CONECT  111  110  112                                                       
CONECT  112  111                                                            
MASTER        0    0    0    0    0    0    0    0  112    0  228    0
END

View in JSmol

Synonyms

Value	Source
Trehalose-trans-keto-mono-mycolic acid	Generator

Chemical Formula

C₉₈H₁₈₈O₁₄

Average Mass

1590.5680 Da

Monoisotopic Mass

1589.39991 Da

IUPAC Name

(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-{1-hydroxy-17-[2-(20-methyl-19-oxoheptatriacontan-2-yl)cyclopropyl]heptadecyl}octacosanoate

Traditional Name

(3,4,5-trihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl 2-{1-hydroxy-17-[2-(20-methyl-19-oxoheptatriacontan-2-yl)cyclopropyl]heptadecyl}octacosanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1/C98H188O14/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-39-45-51-57-63-69-75-84(96(108)109-80-89-91(103)93(105)95(107)98(111-89)112-97-94(106)92(104)90(102)88(79-99)110-97)87(101)77-71-65-59-53-47-41-35-33-38-44-50-56-62-68-74-83-78-85(83)81(3)72-66-60-54-48-42-36-32-34-40-46-52-58-64-70-76-86(100)82(4)73-67-61-55-49-43-37-30-20-18-16-14-12-10-8-6-2/h81-85,87-95,97-99,101-107H,5-80H2,1-4H3

InChI Key

ZHIKIEYTXXJMOG-UHFFFAOYNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	30.19	ChemAxon
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	232.9 Å²	ChemAxon
Rotatable Bond Count	85	ChemAxon
Refractivity	464.14 m³·mol⁻¹	ChemAxon
Polarizability	211.54 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for trehalose-trans-keto-mono-mycolate (NP0339955)

MOL for NP0339955 (trehalose-trans-keto-mono-mycolate)

3D MOL for NP0339955 (trehalose-trans-keto-mono-mycolate)

3D SDF for NP0339955 (trehalose-trans-keto-mono-mycolate)

3D-SDF for NP0339955 (trehalose-trans-keto-mono-mycolate)

PDB for NP0339955 (trehalose-trans-keto-mono-mycolate)

3D PDB for NP0339955 (trehalose-trans-keto-mono-mycolate)

SMILES for NP0339955 (trehalose-trans-keto-mono-mycolate)

INCHI for NP0339955 (trehalose-trans-keto-mono-mycolate)

Structure for NP0339955 (trehalose-trans-keto-mono-mycolate)

3D Structure for NP0339955 (trehalose-trans-keto-mono-mycolate)