KEGG   COMPOUND: C06767Help
Entry
C06767                      Compound                               

Name
Hemine;
Hemin
Formula
C34H32ClFeN4O4
Exact mass
651.1462
Mol weight
651.9403
Structure
Mol fileKCF fileDB search
Pathway
map02010  ABC transporters
Other DBs
PubChem: 8987
ChEBI: 50385
KCF data Show

ATOM        44
            1   C8y C    38.3313  -24.4094
            2   C8x C    37.0879  -24.9518
            3   N4y N    38.4257  -23.0540
            4   C8y C    39.6635  -24.9221
            5   C8y C    35.8083  -24.4410
            6   C8y C    39.7460  -22.7391
            7   C8y C    40.4726  -23.8869
            8   C8y C    34.6014  -25.0466
            9   N5x N    35.5937  -23.0903
            10  C8x C    40.2337  -21.5191
            11  N4y N    35.4992  -20.1626
            12  C8y C    33.6308  -24.1415
            13  C8y C    34.2618  -22.8699
            14  C8y C    39.7343  -20.3004
            15  C8y C    35.6719  -18.8121
            16  C8y C    34.1487  -20.4007
            17  C8x C    33.7207  -21.6686
            18  C8y C    40.3467  -19.0686
            19  N5x N    38.3896  -20.0915
            20  C8y C    34.4402  -18.2359
            21  C8x C    36.9037  -18.1531
            22  C8y C    33.5073  -19.2109
            23  C8y C    39.3774  -18.1287
            24  C8y C    38.1702  -18.7597
            25  C2b C    34.4286  -16.8620
            26  C1a C    32.1391  -19.2109
            27  C1a C    39.3658  -16.7546
            28  C2a C    35.6131  -16.1614
            29  C2b C    41.7032  -18.8430
            30  C2a C    42.6180  -19.9541
            31  C1b C    39.6264  -26.3664
            32  C1b C    40.8681  -27.1169
            33  C6a C    40.8316  -28.5600
            34  O6a O    42.0731  -29.3106
            35  O6a O    39.5676  -29.2596
            36  C1b C    34.5463  -26.3914
            37  C1b C    33.3486  -27.0232
            38  C6a C    33.2936  -28.3679
            39  O6a O    32.0960  -28.9926
            40  O6a O    34.4294  -29.0948
            41  C1a C    32.1886  -24.2078
            42  C1a C    41.7814  -23.9501
            43  Z   Fe   36.9211  -21.6095
            44  X   Cl   36.9211  -19.5795
BOND        49
            1    11  16 1
            2    13  17 2
            3    14  18 1
            4    14  19 2
            5    15  20 2
            6    15  21 1
            7    16  22 2
            8    18  23 2
            9    19  24 1
            10   20  25 1
            11   22  26 1
            12   23  27 1
            13    6   7 1
            14   12  13 1
            15   16  17 1
            16   20  22 1
            17   21  24 2
            18   23  24 1
            19   25  28 2
            20   18  29 1
            21   29  30 2
            22    1   2 2
            23    4  31 1
            24    1   3 1
            25   31  32 1
            26    1   4 1
            27   32  33 1
            28    2   5 1
            29   33  34 2
            30    3   6 1
            31   33  35 1
            32    4   7 2
            33    8  36 1
            34    5   8 1
            35   36  37 1
            36    5   9 2
            37   37  38 1
            38    6  10 2
            39   38  39 1
            40    8  12 2
            41   38  40 2
            42    9  13 1
            43   12  41 1
            44   10  14 1
            45    7  42 1
            46   11  15 1
            47   11  43 1
            48    3  43 1
            49   43  44 1

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