KEGG   COMPOUND: C21429
Entry
C21429                      Compound                               

Name
12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d
Formula
C36H38MgN4O3
Exact mass
598.2794
Mol weight
599.0169
Structure
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.332       4.2.1.169
Other DBs
PubChem: 329728052
KCF data

ATOM        44
            1   C8y C    18.8891  -18.0012
            2   C8y C    17.6476  -18.5389
            3   N4y N    18.9840  -16.6398
            4   C8y C    20.2202  -18.5090
            5   C8y C    16.3695  -18.0257
            6   C8y C    20.3031  -16.3307
            7   C8y C    21.0258  -17.4763
            8   C1y C    15.1644  -18.6341
            9   N5x N    16.1540  -16.6763
            10  C8x C    20.7928  -15.1123
            11  N4y N    16.0592  -13.7573
            12  C1y C    14.1967  -17.7321
            13  C8y C    14.8304  -16.4550
            14  C8y C    20.2914  -13.8884
            15  C8y C    16.2325  -12.4078
            16  C8y C    14.7097  -13.9962
            17  C8x C    14.2801  -15.2555
            18  C8y C    20.9064  -12.6584
            19  N5x N    18.9477  -13.6858
            20  C8y C    15.0027  -11.8360
            21  C8x C    17.4625  -11.7459
            22  C8y C    14.0654  -12.8083
            23  C8y C    19.9401  -11.7215
            24  C8y C    18.7276  -12.3552
            25  C2b C    14.9910  -10.4562
            26  C1a C    12.6986  -12.8083
            27  C1a C    19.9213  -10.3484
            28  C2a C    16.1736   -9.7597
            29  C1b C    22.2546  -12.4319
            30  C1c C    23.1733  -13.5478
            31  C5x C    19.7515  -19.8817
            32  C1b C    15.1092  -19.9846
            33  C1b C    13.9134  -20.6050
            34  C6a C    13.8512  -21.9555
            35  O6a O    12.6553  -22.5830
            36  O6a O    14.9918  -22.6785
            37  C1a C    12.7555  -17.7985
            38  C1b C    22.3403  -17.5398
            39  Z   Mg   17.4801  -15.2030
            40  C1x C    18.2408  -19.8567
            41  O5x O    20.5776  -21.0628
            42  C1a C    22.9894  -18.7999
            43  C1a C    24.5478  -13.3189
            44  C1a C    22.6709  -14.8880
BOND        50
            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   11  39 1
            38    3  39 1
            39    8  12 1
            40    2  40 1
            41   40  31 1
            42    9  13 1
            43   31  41 2
            44   10  14 1
            45   11  15 1
            46   11  16 1
            47   13  17 2
            48   38  42 1
            49   30  43 1
            50   30  44 1

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