KEGG   COMPOUND: C06230Help
Entry
C06230                      Compound                               

Name
Fe-enterobactin;
Fe-enterochlin
Formula
C30H21N3O15. Fe
Exact mass
719.0322
Mol weight
719.3438
Structure
Mol fileKCF fileDB search
Comment
Enterochelin [CPD:C05821]
Pathway
map02010  ABC transporters
map02020  Two-component system
Other DBs
PubChem: 8473
ChEBI: 28199
KCF data Show

ATOM        49
            1   C8y C    20.9091  -20.0478
            2   C5a C    20.9091  -18.6428
            3   C8y C    22.1278  -20.7351
            4   C8x C    19.7021  -20.7351
            5   N1b N    22.1219  -17.9427
            6   O5a O    19.6964  -17.9427
            7   C8y C    22.1278  -22.1344
            8   O1a O    23.3407  -20.0361 #-
            9   C8x C    19.7021  -22.1344
            10  C1y C    22.1219  -16.5376
            11  C8x C    20.9149  -22.8403
            12  O1a O    23.3407  -22.8403 #-
            13  C7x C    23.3347  -15.8443
            14  C1x C    20.9091  -15.8443
            15  O7x O    23.3347  -14.4451
            16  O6a O    24.5534  -16.5376
            17  O7x O    20.9091  -14.4451
            18  C1x C    24.5534  -13.7392
            19  C7x C    19.6964  -13.7392
            20  C1y C    24.5534  -12.3399
            21  C1y C    19.6964  -12.3399
            22  O6a O    18.4907  -14.4451
            23  N1b N    25.7663  -11.6409
            24  C7x C    23.3347  -11.6409
            25  N1b N    18.4907  -11.6409
            26  C1x C    20.9091  -11.6409
            27  C5a C    26.9792  -12.3399
            28  O7x O    22.1219  -12.3399
            29  O6a O    23.3347  -10.2415
            30  C5a C    17.2719  -12.3399
            31  C8y C    28.1919  -11.6409
            32  O5a O    26.9792  -13.7392
            33  C8y C    16.0590  -11.6409
            34  O5a O    17.2719  -13.7392
            35  C8y C    29.3918  -12.3340
            36  C8x C    28.1860  -10.2358
            37  C8y C    14.8522  -12.3457
            38  C8x C    16.0649  -10.2474
            39  C8y C    30.6047  -11.6409
            40  O1a O    29.3918  -13.7392 #-
            41  C8x C    29.3918   -9.5356
            42  C8y C    13.6393  -11.6467
            43  O1a O    14.8579  -13.7449 #-
            44  C8x C    14.8522   -9.5415
            45  C8x C    30.6047  -10.2358
            46  O1a O    31.8175  -12.3340 #-
            47  C8x C    13.6393  -10.2474
            48  O1a O    12.4207  -12.3457 #-
            49  Z   Fe   28.7000  -19.1800 #3+
BOND        51
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9    10   5 1 #Up
            10    7  11 1
            11    7  12 1
            12   10  13 1
            13   10  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1 #Up
            23   20  24 1
            24   21  25 1 #Up
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28   24  29 2
            29   25  30 1
            30   27  31 1
            31   27  32 2
            32   30  33 1
            33   30  34 2
            34   31  35 2
            35   31  36 1
            36   33  37 1
            37   33  38 2
            38   35  39 1
            39   35  40 1
            40   36  41 2
            41   37  42 2
            42   37  43 1
            43   38  44 1
            44   39  45 2
            45   39  46 1
            46   42  47 1
            47   42  48 1
            48    9  11 2
            49   26  28 1
            50   41  45 1
            51   44  47 2

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