KEGG   COMPOUND: C11829
Entry
C11829                      Compound                               

Name
13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;
13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester
Formula
C35H34MgN4O5
Exact mass
614.238
Mol weight
614.9733
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: 13993
ChEBI: 15434
3DMET: B05547
KCF data

ATOM        45
            1   C8y C    28.1672  -23.0969
            2   C8x C    26.9262  -23.6343
            3   N4y N    28.2691  -21.7363
            4   C8y C    29.4974  -23.6044
            5   C8y C    25.6489  -23.1215
            6   C8y C    29.5803  -21.4202
            7   C8y C    30.3026  -22.5653
            8   C8y C    24.4444  -23.7223
            9   N5x N    25.4335  -21.7728
            10  C8x C    30.0697  -20.2026
            11  N4y N    25.3387  -18.8482
            12  C8y C    23.4772  -22.8209
            13  C8y C    24.1106  -21.5515
            14  C8y C    29.5686  -18.9864
            15  C8y C    25.5120  -17.5066
            16  C8y C    23.9900  -19.0872
            17  C8x C    23.5605  -20.3527
            18  C8y C    30.1833  -17.7570
            19  N5x N    28.2257  -18.7767
            20  C8y C    24.2897  -16.9282
            21  C8x C    26.7413  -16.8451
            22  C8y C    23.3461  -17.8998
            23  C8y C    29.2173  -16.8206
            24  C8y C    28.0055  -17.4469
            25  C2b C    24.2711  -15.5491
            26  C1a C    21.9871  -17.8998
            27  C1a C    29.2056  -15.4484
            28  C2a C    25.4601  -14.8530
            29  C2b C    31.5378  -17.5307
            30  C2a C    32.4559  -18.6388
            31  C1c C    29.4672  -25.0471
            32  O1a O    30.6995  -25.7934
            33  C1b C    24.3893  -25.0722
            34  C1b C    23.1941  -25.6993
            35  C6a C    23.1388  -27.0420
            36  O6a O    21.9367  -27.6691
            37  O6a O    24.2717  -27.7717
            38  C1a C    22.0368  -22.8944
            39  C1a C    31.6163  -22.6357
            40  Z   Mg   26.7588  -20.3003
            41  C1b C    28.1982  -25.7418
            42  C7a C    28.1684  -27.1835
            43  O6a O    26.9065  -27.8783
            44  O7a O    29.4005  -27.9300
            45  C1a C    30.6695  -27.2351
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 1
            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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