KEGG   COMPOUND: C04465
Entry
C04465                      Compound                               

Name
alpha,alpha'-Trehalose 6,6'-bismycolate
Formula
C76H142O15
Exact mass
1295.0349
Mol weight
1295.9317
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0116 Mycolic acids
    C04465  alpha,alpha'-Trehalose 6,6'-bismycolate
 SL  Saccharolipids
  SL03 Acyltrehaloses
   C04465  alpha,alpha'-Trehalose 6,6'-bismycolate
Other DBs
PubChem: 7088
ChEBI: 18195
LIPIDMAPS: LMFA01160002
3DMET: B04943
NIKKAJI: J2.751.156B
KCF data

ATOM        91
            1   C1c C    36.5306  -24.3326
            2   C1b C    37.7377  -23.6356
            3   C1b C    38.9450  -24.3326
            4   C1b C    40.1522  -23.6356
            5   C1b C    41.3595  -24.3326
            6   C1b C    42.5666  -23.6356
            7   C1b C    43.7738  -24.3326
            8   C1b C    44.9811  -23.6356
            9   C2b C    46.1882  -24.3326
            10  C2b C    47.3954  -23.6356
            11  C1b C    48.6027  -24.3326
            12  C1b C    49.8098  -23.6356
            13  C1b C    51.0170  -24.3326
            14  C1b C    52.2243  -23.6356
            15  C1b C    53.4315  -24.3326
            16  C1a C    54.6386  -23.6356
            17  C1b C    38.0696  -22.2636
            18  C1b C    39.2767  -21.5666
            19  C1b C    40.4839  -22.2636
            20  C1b C    41.6912  -21.5666
            21  C1b C    42.8984  -22.2636
            22  C1b C    44.1055  -21.5666
            23  C1b C    45.3128  -22.2636
            24  C1b C    46.5200  -21.5666
            25  C1b C    47.7271  -22.2636
            26  C1b C    48.9344  -21.5666
            27  C1b C    50.1416  -22.2636
            28  C1a C    51.3487  -21.5666
            29  C1b C    36.6357  -21.5210
            30  C1b C    17.4533  -21.6143
            31  C1b C    16.2462  -20.9173
            32  C1b C    15.0390  -21.6143
            33  C1b C    13.8317  -20.9173
            34  C1b C    12.6246  -21.6143
            35  C1b C    11.4174  -20.9173
            36  C2b C    10.2101  -21.6143
            37  C2b C     9.0028  -20.9173
            38  C1b C     7.7958  -21.6143
            39  C1b C     6.5885  -20.9173
            40  C1b C     5.3812  -21.6143
            41  C1b C     4.1742  -20.9173
            42  C1b C     2.9669  -21.6143
            43  C1a C     1.7596  -20.9173
            44  C1b C    18.6590  -20.9153
            45  C1b C    23.7733  -19.5458
            46  C1b C    24.9805  -18.8488
            47  C1b C    26.1876  -19.5458
            48  C1b C    27.3949  -18.8488
            49  C1b C    28.6021  -19.5458
            50  C1b C    29.8094  -18.8488
            51  C1b C    31.0165  -19.5458
            52  C1b C    32.2237  -18.8488
            53  C1b C    33.4310  -19.5458
            54  C1b C    34.6381  -18.8488
            55  C1b C    35.8453  -19.5458
            56  C1a C    37.0526  -18.8488
            57  C1y C    25.8233  -25.0392
            58  O2a O    27.0122  -24.3326
            59  O2x O    24.6154  -24.3453
            60  C1y C    25.8233  -26.4198
            61  C1y C    28.2072  -23.6643
            62  C1y C    23.4264  -25.0392
            63  C1y C    24.6154  -27.1193
            64  O1a O    27.0122  -27.1077
            65  O2x O    29.3905  -24.3640
            66  C1y C    28.2072  -22.2768
            67  C1y C    23.4264  -26.4198
            68  C1b C    22.2431  -24.3453
            69  O1a O    24.6341  -28.7733
            70  C1y C    30.5910  -23.6643
            71  C1y C    29.3905  -21.5959
            72  O1a O    27.0181  -21.5959
            73  O1a O    22.2431  -27.1077
            74  O7a O    22.2431  -22.9891
            75  C1y C    30.5910  -22.2768
            76  C1b C    31.7873  -24.3453
            77  O1a O    29.3905  -20.2210
            78  C7a C    22.2431  -21.6144
            79  O1a O    32.0350  -21.4473
            80  O7a O    32.9763  -23.6586
            81  C1c C    21.0539  -20.9335
            82  O6a O    23.4264  -20.9335
            83  C7a C    34.1655  -24.3326
            84  C1c C    19.8651  -21.6144
            85  C1b C    21.0539  -19.5515
            86  C1c C    35.3416  -23.6586
            87  O6a O    34.1655  -25.7144
            88  O1a O    19.8651  -22.9891
            89  C1b C    22.3611  -18.8029
            90  C1b C    35.3416  -22.2768
            91  O1a O    36.5306  -25.7144
BOND        92
            1     1   2 1
            2    47  48 1
            3    24  25 1
            4    48  49 1
            5    12  13 1
            6    49  50 1
            7    25  26 1
            8    50  51 1
            9     6   7 1
            10   51  52 1
            11   26  27 1
            12   52  53 1
            13   29  17 1
            14   53  54 1
            15   13  14 1
            16   54  55 1
            17   27  28 1
            18   55  56 1
            19    3   4 1
            20   14  15 1
            21   30  44 1
            22    7   8 1
            23   30  31 1
            24   15  16 1
            25   31  32 1
            26   32  33 1
            27    8   9 1
            28   33  34 1
            29   17  18 1
            30   34  35 1
            31    4   5 1
            32   35  36 1
            33   18  19 1
            34   36  37 2
            35    9  10 2
            36   37  38 1
            37   19  20 1
            38   38  39 1
            39    2   3 1
            40   39  40 1
            41   20  21 1
            42   40  41 1
            43   10  11 1
            44   41  42 1
            45   21  22 1
            46   42  43 1
            47    5   6 1
            48   22  23 1
            49   11  12 1
            50   45  46 1
            51   23  24 1
            52   46  47 1
            53   57  58 1 #Down
            54   57  59 1
            55   57  60 1
            56   61  58 1 #Down
            57   59  62 1
            58   60  63 1
            59   60  64 1 #Down
            60   61  65 1
            61   61  66 1
            62   62  67 1
            63   62  68 1 #Up
            64   63  69 1 #Up
            65   65  70 1
            66   66  71 1
            67   66  72 1 #Down
            68   67  73 1 #Down
            69   68  74 1
            70   70  75 1
            71   70  76 1 #Up
            72   71  77 1 #Up
            73   74  78 1
            74   75  79 1 #Down
            75   76  80 1
            76   78  81 1
            77   78  82 2
            78   80  83 1
            79   81  84 1
            80   81  85 1
            81   83  86 1
            82   83  87 2
            83   84  88 1
            84   85  89 1
            85   86   1 1
            86   86  90 1
            87   89  45 1
            88    1  91 1
            89   90  29 1
            90   63  67 1
            91   71  75 1
            92   84  44 1

» Japanese version

KEGG   COMPOUND: C19190
Entry
C19190                      Compound                               

Name
Trehalose-6,6'-dibehenate
Formula
C56H106O13
Exact mass
986.7633
Mol weight
987.433
Structure
Pathway
map05152  Tuberculosis
Other DBs
CAS: 66758-35-8
PubChem: 124489862
ChEBI: 82287
ChEMBL: CHEMBL4070777
KCF data

ATOM        69
            1   C1b C    41.2904  -16.2825
            2   C1b C    42.4975  -15.5855
            3   C1b C    43.7048  -16.2825
            4   C1b C    44.9120  -15.5855
            5   C1b C    46.1193  -16.2825
            6   C1b C    47.3264  -15.5855
            7   C1b C    48.5336  -16.2825
            8   C1b C    49.7409  -15.5855
            9   C1b C    50.9480  -16.2825
            10  C1b C    52.1552  -15.5855
            11  C1b C    53.3625  -16.2825
            12  C1b C    54.5696  -15.5855
            13  C1b C    55.7768  -16.2825
            14  C1b C    56.9841  -15.5855
            15  C1b C    58.1913  -16.2825
            16  C1b C    59.3984  -15.5855
            17  C1b C    22.2132  -13.5642
            18  C1b C    21.0061  -12.8672
            19  C1b C    19.7989  -13.5642
            20  C1b C    18.5916  -12.8672
            21  C1b C    17.3845  -13.5642
            22  C1b C    16.1773  -12.8672
            23  C1b C    14.9701  -13.5642
            24  C1b C    13.7628  -12.8672
            25  C1b C    12.5558  -13.5642
            26  C1b C    11.3485  -12.8672
            27  C1b C    10.1412  -13.5642
            28  C1b C     8.9342  -12.8672
            29  C1b C     7.7269  -13.5642
            30  C1b C     6.5196  -12.8672
            31  C1b C    23.4189  -12.8652
            32  C1y C    30.5832  -16.9891
            33  O2a O    31.7721  -16.2825
            34  O2x O    29.3753  -16.2952
            35  C1y C    30.5832  -18.3697
            36  C1y C    32.9671  -15.6142
            37  C1y C    28.1863  -16.9891
            38  C1y C    29.3753  -19.0692
            39  O1a O    31.7721  -19.0576
            40  O2x O    34.1504  -16.3139
            41  C1y C    32.9671  -14.2267
            42  C1y C    28.1863  -18.3697
            43  C1b C    27.0030  -16.2952
            44  O1a O    29.3940  -20.7232
            45  C1y C    35.3509  -15.6142
            46  C1y C    34.1504  -13.5458
            47  O1a O    31.7780  -13.5458
            48  O1a O    27.0030  -19.0576
            49  O7a O    27.0030  -14.9390
            50  C1y C    35.3509  -14.2267
            51  C1b C    36.5472  -16.2952
            52  O1a O    34.1504  -12.1709
            53  C7a C    27.0030  -13.5643
            54  O1a O    36.7949  -13.3972
            55  O7a O    37.7362  -15.6085
            56  C1b C    25.8138  -12.8834
            57  O6a O    28.1863  -12.8834
            58  C7a C    38.9253  -16.2825
            59  C1b C    24.6250  -13.5643
            60  C1b C    40.1014  -15.6085
            61  O6a O    38.9253  -17.6643
            62  C1b C    60.6452  -16.3051
            63  C1b C    61.8364  -15.6170
            64  C1b C    63.0261  -16.3036
            65  C1a C    64.2160  -15.6162
            66  C1b C     5.2944  -13.5745
            67  C1b C     4.1036  -12.8868
            68  C1b C     2.9139  -13.5737
            69  C1a C     1.7239  -12.8864
BOND        70
            1     1   2 1
            2    12  13 1
            3     6   7 1
            4    13  14 1
            5     3   4 1
            6    14  15 1
            7    17  31 1
            8     7   8 1
            9    17  18 1
            10   15  16 1
            11   18  19 1
            12   19  20 1
            13    8   9 1
            14   20  21 1
            15   21  22 1
            16    4   5 1
            17   22  23 1
            18   23  24 1
            19    9  10 1
            20   24  25 1
            21   25  26 1
            22    2   3 1
            23   26  27 1
            24   27  28 1
            25   10  11 1
            26   28  29 1
            27   29  30 1
            28    5   6 1
            29   11  12 1
            30   32  33 1 #Down
            31   32  34 1
            32   32  35 1
            33   36  33 1 #Down
            34   34  37 1
            35   35  38 1
            36   35  39 1 #Down
            37   36  40 1
            38   36  41 1
            39   37  42 1
            40   37  43 1 #Up
            41   38  44 1 #Up
            42   40  45 1
            43   41  46 1
            44   41  47 1 #Down
            45   42  48 1 #Down
            46   43  49 1
            47   45  50 1
            48   45  51 1 #Up
            49   46  52 1 #Up
            50   49  53 1
            51   50  54 1 #Down
            52   51  55 1
            53   53  56 1
            54   53  57 2
            55   55  58 1
            56   56  59 1
            57   58  60 1
            58   58  61 2
            59   60   1 1
            60   38  42 1
            61   46  50 1
            62   59  31 1
            63   16  62 1
            64   62  63 1
            65   63  64 1
            66   64  65 1
            67   30  66 1
            68   66  67 1
            69   67  68 1
            70   68  69 1

» Japanese version

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