KEGG   COMPOUND: C06228
Entry
C06228                      Compound                               
Name
Ferrichrome
Formula
C27H42FeN9O12
Exact mass
740.2302
Mol weight
740.5205
Structure
Other DBs
PubChem: 8471
ChEBI: 5019
PDB-CCD: FCE[PDBj]
LinkDB
KCF data

ATOM        49
            1   C1y C    19.0889  -18.4154
            2   C1y C    25.4655  -18.3898
            3   C1y C    22.2771  -17.7859
            4   C5x C    20.1533  -17.7911
            5   N1x N    19.0837  -19.6436
            6   N1x N    24.4061  -17.7808
            7   C5x C    25.4552  -19.6232
            8   C5x C    23.3417  -18.4000
            9   N1x N    21.2177  -18.4052
            10  O5x O    20.1483  -16.5628
            11  C5x C    20.1483  -20.2577
            12  N1x N    26.5198  -20.2372
            13  O5x O    24.3959  -20.2322
            14  O5x O    23.3365  -19.6283
            15  C1x C    20.1380  -21.4860
            16  O5x O    21.2076  -19.6385
            17  C1x C    26.5146  -21.4655
            18  N1x N    21.2025  -22.1001
            19  C5x C    25.4502  -22.0899
            20  C5x C    22.2669  -21.4809
            21  N1x N    24.3959  -21.4757
            22  O5x O    25.4450  -23.3233
            23  C1x C    23.3314  -22.0950
            24  O5x O    22.2618  -20.2474
            25  C1b C    22.2731  -16.3801
            26  C1b C    17.8892  -17.7247
            27  C1b C    26.6821  -17.6925
            28  C1b C    26.6821  -16.2925
            29  C1b C    17.8892  -16.3247
            30  C1b C    16.6767  -15.6247
            31  C1b C    27.8946  -15.5925
            32  N1c N    16.6767  -14.2247
            33  N1c N    27.8946  -14.1925
            34  O2a O    17.8892  -13.5247
            35  C5a C    15.4643  -13.5247
            36  O5a O    15.4643  -12.1247
            37  C1a C    14.2519  -14.2247
            38  O2a O    26.6821  -13.4925
            39  C5a C    29.1070  -13.4925
            40  O5a O    29.1070  -12.0925
            41  C1a C    30.3194  -14.1925
            42  C1b C    21.0607  -15.6801
            43  C1b C    21.0607  -14.2801
            44  N1c N    22.2731  -13.5801
            45  O2a O    22.2731  -12.1801
            46  C5a C    23.4856  -14.2801
            47  O5a O    24.6980  -13.5801
            48  C1a C    23.4856  -15.6801
            49  Z   Fe   20.9207  -10.7101
BOND        51
            1     1   4 1
            2     1   5 1
            3     2   6 1
            4     2   7 1
            5     3   8 1
            6     3   9 1
            7     4  10 2
            8     5  11 1
            9     7  12 1
            10    7  13 2
            11    8  14 2
            12   11  15 1
            13   11  16 2
            14   12  17 1
            15   15  18 1
            16   17  19 1
            17   18  20 1
            18   19  21 1
            19   19  22 2
            20   20  23 1
            21   20  24 2
            22    4   9 1
            23    6   8 1
            24   21  23 1
            25    3  25 1 #Up
            26    1  26 1 #Up
            27    2  27 1 #Up
            28   27  28 1
            29   26  29 1
            30   29  30 1
            31   28  31 1
            32   30  32 1
            33   31  33 1
            34   32  34 1
            35   32  35 1
            36   35  36 2
            37   35  37 1
            38   33  38 1
            39   33  39 1
            40   39  40 2
            41   39  41 1
            42   25  42 1
            43   42  43 1
            44   43  44 1
            45   44  45 1
            46   44  46 1
            47   46  47 2
            48   46  48 1
            49   45  49 1
            50   34  49 1
            51   38  49 1

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