KEGG   COMPOUND: C22338
Entry
C22338                      Compound                               

Name
Dihydro-heme d1
Formula
C34H32FeN4O10
Exact mass
712.1468
Mol weight
712.4837
Structure
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01110  Biosynthesis of secondary metabolites
KCF data

ATOM        49
            1   C8y C    20.2864  -16.5095
            2   C5x C    19.0793  -15.8658
            3   C8x C    21.5425  -16.0456
            4   N5x N    20.0730  -17.8508
            5   C1z C    18.0927  -16.8303
            6   C8y C    22.7556  -16.5561
            7   C8y C    18.7199  -18.0667
            8   C1b C    16.3275  -17.3037
            9   C1a C    17.5748  -15.5567
            10  C1z C    23.9277  -15.8600
            11  N4y N    23.0460  -17.8917
            12  C8x C    18.0635  -19.3206
            13  C6a C    15.4845  -16.3245
            14  C5x C    24.9565  -16.7720
            15  C1b C    23.9220  -14.4779
            16  C1a C    22.6157  -15.0731
            17  C8y C    24.4048  -18.0199
            18  C8y C    18.7199  -20.5684
            19  O5x O    26.3211  -16.7663
            20  C6a C    25.1139  -13.7922
            21  C8x C    24.9156  -19.2856
            22  C8y C    18.0927  -21.8000
            23  N4y N    20.0672  -20.7724
            24  O6a O    25.1139  -12.4333
            25  O6a O    26.2978  -14.4720
            26  C8y C    24.3698  -20.5450
            27  C8y C    19.0735  -22.7471
            28  C1a C    16.7513  -22.0205
            29  C8y C    20.2807  -22.1256
            30  C8y C    24.9623  -21.7944
            31  N5x N    23.0168  -20.7375
            32  C1b C    19.0619  -24.1176
            33  C8x C    21.5425  -22.5895
            34  C8y C    23.9627  -22.7239
            35  C8y C    22.7672  -22.0788
            36  C1b C    17.8665  -24.8022
            37  C1b C    24.0968  -24.0827
            38  C6a C    17.8608  -26.1786
            39  C1b C    25.3446  -24.6518
            40  O6a O    16.6815  -26.8527
            41  O6a O    19.0325  -26.8642
            42  C6a C    25.4731  -26.0166
            43  O6a O    24.3524  -26.8002
            44  O6a O    26.7269  -26.5798
            45  Z   Fe   21.4606  -19.3796
            46  O6a O    15.9134  -15.1091
            47  O6a O    14.2190  -16.5678
            48  C1a C    26.3648  -22.0638
            49  O5x O    19.0793  -14.4658
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 1
            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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