KEGG   COMPOUND: C18063
Entry
C18063                      Compound                               

Name
C-13(2)-Carboxypyropheophorbide a;
C-13(2)-Carboxylpyropheophorbide a
Formula
C34H34N4O5
Exact mass
578.2529
Mol weight
578.6576
Structure
Reaction
Enzyme
Other DBs
PubChem: 96024282
ChEBI: 48399
NIKKAJI: J296.423F
LinkDB
KCF data

ATOM        43
            1   C8y C    27.0696  -25.1482
            2   C8y C    25.8070  -25.6949
            3   N4x N    27.1662  -23.7638
            4   C8y C    28.4232  -25.6646
            5   C8y C    24.5075  -25.1732
            6   C8y C    28.5075  -23.4494
            7   C8y C    29.2424  -24.6144
            8   C1y C    23.2819  -25.7918
            9   N5x N    24.2882  -23.8009
            10  C8x C    29.0055  -22.2105
            11  N4x N    24.1918  -20.8325
            12  C1y C    22.2978  -24.8746
            13  C8y C    22.9423  -23.5757
            14  C8y C    28.4956  -20.9659
            15  C8y C    24.3681  -19.4602
            16  C8y C    22.8195  -21.0754
            17  C8x C    22.3826  -22.3561
            18  C8y C    29.1210  -19.7149
            19  N5x N    27.1293  -20.7598
            20  C8y C    23.1174  -18.8787
            21  C8x C    25.6189  -18.7871
            22  C8y C    22.1643  -19.8675
            23  C8y C    28.1383  -18.7623
            24  C8y C    26.9053  -19.4067
            25  C2b C    23.1055  -17.4756
            26  C1a C    20.7744  -19.8675
            27  C1a C    28.1192  -17.3660
            28  C2a C    24.3081  -16.7673
            29  C1b C    30.4921  -19.4847
            30  C1a C    31.4263  -20.6194
            31  C5x C    27.9466  -27.0605
            32  C1b C    23.2258  -27.1652
            33  C1b C    22.0097  -27.7960
            34  C6a C    21.9464  -29.1694
            35  O6a O    20.7303  -29.8075
            36  O6a O    23.1064  -29.9047
            37  C1a C    20.8321  -24.9421
            38  C1a C    30.5792  -24.6089
            39  C1y C    26.4104  -27.1051
            40  O5x O    28.7866  -28.2617
            41  C6a C    25.6077  -28.2615
            42  O6a O    24.1430  -28.1800
            43  O6a O    26.2696  -29.5764
BOND        48
            1    14  18 1
            2    14  19 2
            3    15  20 2
            4    15  21 1
            5    16  22 2
            6    18  23 2
            7    19  24 1
            8    20  25 1
            9    22  26 1
            10   23  27 1
            11    6   7 1
            12   12  13 1
            13   16  17 1
            14   20  22 1
            15   21  24 2
            16   23  24 1
            17   25  28 2
            18   18  29 1
            19   29  30 1
            20    1   2 2
            21    4  31 1
            22    1   3 1
            23    8  32 1 #Up
            24    1   4 1
            25   32  33 1
            26    2   5 1
            27   33  34 1
            28    3   6 1
            29   34  35 1
            30    4   7 2
            31   34  36 2
            32    5   8 1
            33   12  37 1 #Down
            34    5   9 2
            35    7  38 1
            36    6  10 2
            37    8  12 1
            38    2  39 1
            39   39  31 1
            40    9  13 1
            41   31  40 2
            42   10  14 1
            43   39  41 1 #Down
            44   11  15 1
            45   41  42 2
            46   11  16 1
            47   41  43 1
            48   13  17 2

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