KEGG   COMPOUND: C11830
Entry
C11830                      Compound                               

Name
13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester;
13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester
Formula
C35H32MgN4O5
Exact mass
612.2223
Mol weight
612.9574
Structure
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.81      1.21.98.3
Other DBs
PubChem: 13994
ChEBI: 15433
3DMET: B04326
KCF data

ATOM        45
            1   C8y C    28.1672  -23.0901
            2   C8x C    26.9262  -23.6275
            3   N4y N    28.2692  -21.7296
            4   C8y C    29.4974  -23.5976
            5   C8y C    25.6490  -23.1147
            6   C8y C    29.5804  -21.4135
            7   C8y C    30.3026  -22.5585
            8   C8y C    24.4445  -23.7157
            9   N5x N    25.4335  -21.7660
            10  C8x C    30.0697  -20.1958
            11  N4y N    25.3387  -18.8414
            12  C8y C    23.4773  -22.8141
            13  C8y C    24.1106  -21.5447
            14  C8y C    29.5686  -18.9796
            15  C8y C    25.5121  -17.4998
            16  C8y C    23.9900  -19.0804
            17  C8x C    23.5605  -20.3459
            18  C8y C    30.1834  -17.7503
            19  N5x N    28.2257  -18.7700
            20  C8y C    24.2898  -16.9214
            21  C8x C    26.7413  -16.8383
            22  C8y C    23.3461  -17.8932
            23  C8y C    29.2174  -16.8138
            24  C8y C    28.0056  -17.4401
            25  C2b C    24.2711  -15.5423
            26  C1a C    21.9871  -17.8932
            27  C1a C    29.2057  -15.4416
            28  C2a C    25.4602  -14.8462
            29  C2b C    31.5378  -17.5239
            30  C2a C    32.4560  -18.6320
            31  C5a C    29.4672  -25.0403
            32  O5a O    30.6995  -25.7866
            33  C1b C    24.3893  -25.0654
            34  C1b C    23.1942  -25.6925
            35  C6a C    23.1389  -27.0352
            36  O6a O    21.9367  -27.6623
            37  O6a O    24.2718  -27.7650
            38  C1a C    22.0368  -22.8876
            39  C1a C    31.6164  -22.6291
            40  Z   Mg   26.7588  -20.2937
            41  C1b C    28.1983  -25.7352
            42  C7a C    28.1684  -27.1767
            43  O6a O    26.9066  -27.8717
            44  O7a O    29.4006  -27.9232
            45  C1a C    30.6695  -27.2284
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 2
            20    1   2 2
            21    4  31 1
            22    1   3 1
            23   31  32 2
            24    1   4 1
            25    8  33 1
            26    2   5 1
            27   33  34 1
            28    3   6 1
            29   34  35 1
            30    4   7 2
            31   35  36 1
            32    5   8 1
            33   35  37 2
            34    5   9 2
            35   12  38 1
            36    6  10 2
            37    7  39 1
            38    8  12 2
            39   11  40 1
            40    3  40 1
            41    9  13 1
            42   31  41 1
            43   10  14 1
            44   41  42 1
            45   11  15 1
            46   42  43 2
            47   11  16 1
            48   42  44 1
            49   13  17 2
            50   44  45 1

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