KEGG   COMPOUND: C16242Help
Entry
C16242                      Compound                               

Name
Cobalt-precorrin 5A
Formula
C45H52CoN4O16
Exact mass
963.271
Mol weight
963.8448
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
Enzyme
2.1.1.271       3.7.1.12
Other DBs
PubChem: 47205550
ChEBI: 52488
KCF data Show

ATOM        66
            1   C2y C    30.2176  -29.2252
            2   C1y C    29.0462  -28.6009
            3   C2x C    31.4293  -28.7734
            4   N1y N    30.0060  -30.5253
            5   C1z C    28.0862  -29.5330
            6   C1b C    29.0631  -27.2784
            7   C2y C    32.6063  -29.2700
            8   C1z C    28.6948  -30.7323
            9   C1x C    26.7447  -28.4928
            10  C1a C    27.1502  -27.0065
            11  C1b C    27.9184  -26.6083
            12  C1z C    33.7441  -28.5954
            13  N2x N    32.8850  -30.5646
            14  C2y C    28.7004  -33.1587
            15  C7x C    25.9223  -29.0343
            16  C6a C    27.9351  -25.2906
            17  C2y C    34.7377  -29.4770
            18  C1b C    33.7386  -27.2562
            19  C1a C    32.2964  -27.6174
            20  C2y C    34.2018  -30.6875
            21  O7x O    25.3163  -30.6590
            22  O6a O    25.1119  -27.6811
            23  O6a O    26.8030  -24.6210
            24  O6a O    29.0910  -24.6392
            25  C1b C    36.0602  -29.4715
            26  C6a C    34.8888  -26.5916
            27  C1x C    34.6986  -31.9150
            28  C2y C    28.0862  -34.3541
            29  N2x N    30.0005  -33.3550
            30  C1b C    36.7136  -28.3157
            31  O6a O    34.8888  -25.2747
            32  O6a O    36.0378  -27.2505
            33  C1z C    34.1683  -33.1368
            34  C1z C    29.0407  -35.2692
            35  C1b C    26.7861  -34.5655
            36  C2y C    30.2121  -34.6663
            37  C6a C    38.0416  -28.3045
            38  C2y C    34.7434  -34.3486
            39  N1y N    32.8570  -33.3214
            40  C1b C    29.0295  -36.5973
            41  C6a C    26.3230  -35.7984
            42  C2x C    31.4293  -35.1181
            43  O6a O    38.6940  -27.1554
            44  O6a O    38.7107  -29.4546
            45  C2y C    33.7777  -35.2469
            46  C1b C    36.0210  -33.9972
            47  C2y C    32.6175  -34.6215
            48  C1b C    27.8693  -37.2607
            49  O6a O    25.0230  -36.0223
            50  O6a O    27.1598  -36.8201
            51  C1b C    33.7781  -36.4081
            52  C6a C    36.9587  -34.9168
            53  C6a C    27.8637  -38.5944
            54  C1b C    34.6573  -36.8123
            55  O6a O    38.2364  -34.5712
            56  O6a O    36.6297  -36.2070
            57  O6a O    26.7191  -39.2478
            58  O6a O    29.0014  -39.2590
            59  C6a C    34.6587  -38.0334
            60  O6a O    33.5770  -38.5754
            61  O6a O    35.9426  -38.4383
            62  C1y C    27.1456  -31.6795
            63  C1a C    29.7012  -36.4197
            64  C1a C    26.0516  -33.1098
            65  C1a C    35.5206  -32.7744
            66  Z   Co   31.2900  -31.7800
BOND        72
            1     2   5 1
            2     2   6 1 #Down
            3     3   7 1
            4     4   8 1
            5     5   9 1 #Up
            6     5  10 1 #Down
            7     6  11 1
            8     7  12 1
            9     7  13 2
            10    8  14 1
            11    9  15 1
            12   11  16 1
            13   12  17 1
            14   12  18 1 #Up
            15   12  19 1 #Down
            16   13  20 1
            17   15  21 1
            18   15  22 2
            19   16  23 1
            20   16  24 2
            21   17  25 1
            22   18  26 1
            23   20  27 1
            24   14  28 2
            25   14  29 1
            26   25  30 1
            27   26  31 1
            28   26  32 2
            29   27  33 1
            30   28  34 1
            31   28  35 1
            32   29  36 2
            33   30  37 1
            34   33  38 1
            35   33  39 1
            36   34  40 1 #Down
            37   35  41 1
            38   36  42 1
            39   37  43 1
            40   37  44 2
            41   38  45 2
            42   38  46 1
            43   39  47 1
            44   40  48 1
            45   41  49 1
            46   41  50 2
            47   45  51 1
            48   46  52 1
            49   48  53 1
            50   51  54 1
            51   52  55 1
            52   52  56 2
            53   53  57 1
            54   53  58 2
            55   54  59 1
            56   59  60 1
            57   59  61 2
            58    5   8 1
            59   17  20 2
            60   34  36 1
            61   42  47 2
            62   45  47 1
            63    1   2 1
            64    1   3 2
            65   34  63 1 #Up
            66   62  21 1
            67    1   4 1
            68   62  64 1
            69   62   8 1
            70   33  65 1 #Down
            71    4  66 1
            72   66  39 1

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