KEGG   COMPOUND: C22339
Entry
C22339                      Compound                               

Name
Heme d1
Formula
C34H30FeN4O10
Exact mass
710.1311
Mol weight
710.4678
Structure
Reaction
Pathway
map00860  Porphyrin metabolism
map01110  Biosynthesis of secondary metabolites
KCF data

ATOM        49
            1   C8y C    18.3892  -13.0568
            2   C5x C    17.1965  -12.4254
            3   C8x C    19.6521  -12.6359
            4   N5x N    18.1787  -14.4600
            5   C1z C    16.2142  -13.4076
            6   C8y C    20.9150  -13.1270
            7   C8y C    16.8457  -14.6705
            8   C1b C    14.4602  -13.8988
            9   C1a C    15.7231  -12.1447
            10  C1z C    22.0376  -12.4254
            11  N4y N    21.1956  -14.4600
            12  C8x C    16.2142  -15.9334
            13  C6a C    13.6183  -12.9165
            14  C5x C    23.0900  -13.3375
            15  C1b C    22.0376  -11.0222
            16  C1a C    20.7747  -11.6536
            17  C8y C    22.5287  -14.6004
            18  C8y C    16.8457  -17.1261
            19  O5x O    24.4230  -13.3375
            20  C6a C    23.2303  -10.3907
            21  C8x C    23.0198  -15.8633
            22  C8y C    16.2142  -18.3890
            23  N4y N    18.1787  -17.3366
            24  O6a O    23.2303   -8.9875
            25  O6a O    24.4230  -11.0222
            26  C8y C    22.5287  -17.1261
            27  C8y C    17.1965  -19.3011
            28  C1a C    14.8812  -18.5995
            29  C8y C    18.3892  -18.7398
            30  C8y C    23.0900  -18.3890
            31  N5x N    21.1255  -17.3366
            32  C2b C    17.1965  -20.7043
            33  C8x C    19.6521  -19.1608
            34  C8y C    22.1077  -19.3011
            35  C8y C    20.9150  -18.6697
            36  C2b C    16.0037  -21.4060
            37  C1b C    22.2480  -20.6342
            38  C6a C    16.0037  -22.7390
            39  C1b C    23.4408  -21.2656
            40  O6a O    14.8110  -23.4406
            41  O6a O    17.1263  -23.4406
            42  C6a C    23.5811  -22.5987
            43  O6a O    22.4585  -23.3705
            44  O6a O    24.8440  -23.1600
            45  Z   Fe   19.5819  -15.9334
            46  O6a O    14.0392  -11.6536
            47  O6a O    12.3554  -13.1270
            48  C1a C    24.4932  -18.6697
            49  O5x O    17.1965  -11.0222
BOND        54
            1     1   3 1
            2     1   4 2
            3     2   5 1
            4     3   6 2
            5     4   7 1
            6     5   8 1 #Up
            7     5   9 1 #Down
            8     6  10 1
            9     6  11 1
            10    7  12 2
            11    8  13 1
            12   10  14 1
            13   10  15 1 #Up
            14   10  16 1 #Down
            15   11  17 1
            16   12  18 1
            17   14  19 2
            18   15  20 1
            19   17  21 2
            20   18  22 2
            21   18  23 1
            22   20  24 1
            23   20  25 2
            24   21  26 1
            25   22  27 1
            26   22  28 1
            27   23  29 1
            28   26  30 1
            29   26  31 2
            30   27  32 1
            31   29  33 1
            32   30  34 2
            33   31  35 1
            34   32  36 2
            35   34  37 1
            36   36  38 1
            37   37  39 1
            38   38  40 1
            39   38  41 2
            40   39  42 1
            41   42  43 1
            42   42  44 2
            43    5   7 1
            44   14  17 1
            45   27  29 2
            46   33  35 2
            47   34  35 1
            48   11  45 1
            49   23  45 1
            50   13  46 2
            51    1   2 1
            52   13  47 1
            53   30  48 1
            54    2  49 2

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