KEGG   COMPOUND: C12057
Entry
C12057                      Compound                               
Name
Cyclothialidine
Formula
C26H35N5O12S
Exact mass
641.2003
Mol weight
641.6474
Structure
Other DBs
CAS: 147214-63-9
PubChem: 14212
ChEBI: 29566
KNApSAcK: C00016928
NIKKAJI: J1.613.944K J565.495E
LinkDB
KCF data

ATOM        44
            1   C1y C    31.2449  -22.6404
            2   C1y C    30.8278  -23.9801
            3   C1x C    31.9804  -24.7890
            4   C1x C    33.1032  -23.9393
            5   N1y N    32.6456  -22.6154
            6   C1y C    27.6123  -21.9576
            7   N1b N    28.8232  -22.6475
            8   C5a C    30.0340  -21.9505
            9   C8x C    20.3559  -20.5219
            10  C8y C    20.3559  -21.9228
            11  C8y C    21.5729  -22.6197
            12  C8y C    21.5729  -19.8179
            13  C8y C    22.7759  -20.5219
            14  C8y C    22.7698  -21.9228
            15  C7x C    23.9811  -22.6248
            16  O7x O    25.1985  -21.9331
            17  C1x C    23.9931  -19.8231
            18  N1x N    26.4152  -19.8427
            19  C1y C    26.4265  -18.4454
            20  C1x C    25.2213  -17.7405
            21  S2x S    24.0044  -18.4256
            22  C5x C    27.5536  -20.5567
            23  C1x C    26.3922  -22.6446
            24  C5a C    27.6466  -17.7584
            25  O5a O    28.8550  -18.4652
            26  N1b N    27.6579  -16.3575
            27  C1c C    28.8778  -15.6634
            28  C1a C    28.8893  -14.2624
            29  C6a C    30.0862  -16.3773
            30  O6a O    30.0747  -17.7782
            31  O6a O    31.3061  -15.6832
            32  O5x O    28.8437  -19.8626
            33  C5a C    33.4433  -21.4652
            34  C1c C    34.8441  -21.4583
            35  N1a N    35.5543  -22.6689
            36  C1b C    35.5421  -20.2475
            37  O5a O    32.7957  -20.2310
            38  O1a O    36.9421  -20.2474
            39  O1a O    29.5024  -24.4398
            40  O5a O    30.0309  -20.5496
            41  O1a O    21.5746  -18.4168
            42  O1a O    19.1419  -22.6204
            43  C1a C    21.5761  -24.0208
            44  O6a O    23.9752  -24.0258
BOND        46
            1    22   6 1
            2    16  23 1
            3    10  11 2
            4     6  23 1
            5    11  14 1
            6    19  24 1 #Up
            7    13  12 1
            8    24  25 2
            9    12   9 2
            10   24  26 1
            11    1   2 1
            12   26  27 1
            13    6   7 1 #Up
            14   27  28 1 #Up
            15    2   3 1
            16   27  29 1
            17    7   8 1
            18   29  30 1
            19   13  14 2
            20   29  31 2
            21   14  15 1
            22   22  32 2
            23   15  16 1
            24    5  33 1
            25   17  13 1
            26   33  34 1
            27    1   8 1 #Up
            28   34  35 1
            29    3   4 1
            30   34  36 1
            31    4   5 1
            32   33  37 2
            33    5   1 1
            34   36  38 1
            35    2  39 1 #Up
            36   18  19 1
            37    8  40 2
            38   19  20 1
            39   12  41 1
            40   20  21 1
            41   10  42 1
            42   21  17 1
            43   11  43 1
            44    9  10 1
            45   15  44 2
            46   18  22 1

» Japanese version

DBGET integrated database retrieval system