KEGG   COMPOUND: C05778Help
Entry
C05778                      Compound                               

Name
Sirohydrochlorin
Formula
C42H46N4O16
Exact mass
862.2909
Mol weight
862.8318
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Porphyrin and chlorophyll metabolism
Metabolic pathways
Biosynthesis of secondary metabolites
Module
M00121  
Heme biosynthesis, glutamate => protoheme/siroheme
Enzyme
1.3.1.76        2.1.1.107       4.99.1.3        4.99.1.4
Other DBs
CAS: 
65207-12-7
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        62
            1   C8y C    28.4656  -15.1101
            2   C1y C    29.0057  -13.8175
            3   C8x C    29.0315  -16.3899
            4   N5x N    27.0764  -15.0072
            5   C1z C    27.9319  -12.9107
            6   C1b C    30.4014  -13.7789
            7   C8y C    28.4977  -17.7018
            8   C8y C    26.7485  -13.6502
            9   C1b C    29.0766  -12.0681
            10  C1a C    26.9285  -11.9010
            11  C1b C    31.0638  -12.5506
            12  C1z C    29.1279  -18.9430
            13  N4x N    27.1150  -17.9141
            14  C8x C    25.4944  -13.1550
            15  C6a C    29.0685  -10.6727
            16  C6a C    32.4592  -12.5183
            17  C1y C    28.1312  -19.9399
            18  C1b C    29.7840  -20.1972
            19  C1a C    30.1248  -17.9335
            20  C8y C    26.8899  -19.2968
            21  C8y C    24.2338  -13.6631
            22  O6a O    30.1941   -9.8558
            23  O6a O    27.7759  -10.1195
            24  O6a O    33.1346  -11.2771
            25  O6a O    33.1924  -13.7017
            26  C1b C    27.4622  -21.1618
            27  C6a C    31.1794  -20.2422
            28  C8x C    25.6552  -19.8563
            29  C8y C    22.9733  -13.0457
            30  N4x N    24.0345  -15.0521
            31  C1b C    28.1762  -22.3644
            32  O6a O    31.8227  -21.5028
            33  O6a O    31.9320  -19.0588
            34  C8y C    24.3689  -19.4061
            35  C8y C    22.0087  -14.0489
            36  C1b C    22.9631  -11.6822
            37  C8y C    22.6583  -15.2967
            38  C6a C    27.5008  -23.5799
            39  C8y C    23.1469  -20.0814
            40  N5x N    24.1117  -18.0299
            41  C1b C    20.7200  -13.5932
            42  C6a C    21.6770  -11.1292
            43  C8x C    22.0344  -16.5957
            44  O6a O    28.2148  -24.7826
            45  O6a O    26.0989  -23.5927
            46  C8y C    22.1245  -19.1166
            47  C1b C    23.1663  -21.4834
            48  C8y C    22.7161  -17.8497
            49  C1b C    19.5326  -14.3410
            50  O6a O    20.5514  -11.9588
            51  O6a O    21.5291   -9.7336
            52  C1b C    20.7289  -19.1046
            53  C6a C    21.9637  -22.1973
            54  C6a C    18.2983  -13.6833
            55  C1b C    20.0729  -20.4158
            56  O6a O    21.9893  -23.5993
            57  O6a O    20.7417  -21.5155
            58  O6a O    17.1062  -14.4177
            59  O6a O    18.2634  -12.2858
            60  C6a C    18.6773  -20.4673
            61  O6a O    18.0277  -21.7085
            62  O6a O    17.9442  -19.2774
BOND        66
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 2
            7     4   8 1
            8     5   9 1 #Up
            9     5  10 1 #Down
            10    6  11 1
            11    7  12 1
            12    7  13 1
            13    8  14 2
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   12  19 1 #Down
            19   13  20 1
            20   14  21 1
            21   15  22 1
            22   15  23 2
            23   16  24 1
            24   16  25 2
            25   17  26 1 #Down
            26   18  27 1
            27   20  28 2
            28   21  29 2
            29   21  30 1
            30   26  31 1
            31   27  32 1
            32   27  33 2
            33   28  34 1
            34   29  35 1
            35   29  36 1
            36   30  37 1
            37   31  38 1
            38   34  39 1
            39   34  40 2
            40   35  41 1
            41   36  42 1
            42   37  43 1
            43   38  44 1
            44   38  45 2
            45   39  46 2
            46   39  47 1
            47   40  48 1
            48   41  49 1
            49   42  50 1
            50   42  51 2
            51   46  52 1
            52   47  53 1
            53   49  54 1
            54   52  55 1
            55   53  56 1
            56   53  57 2
            57   54  58 1
            58   54  59 2
            59   55  60 1
            60   60  61 1
            61   60  62 2
            62    5   8 1
            63   17  20 1
            64   35  37 2
            65   43  48 2
            66   46  48 1

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