KEGG   COMPOUND: C03160Help
Entry
C03160                      Compound                               

Name
2-Succinylbenzoyl-CoA;
o-Succinylbenzoyl-CoA;
Succinylbenzoyl-CoA;
4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA
Formula
C32H44N7O20P3S
Exact mass
971.1575
Mol weight
971.7129
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
previously considered that the location of CoA was on the aromatic carboxyl group
Reaction
Pathway
Ubiquinone and other terpenoid-quinone biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Module
M00116  
Menaquinone biosynthesis, chorismate => menaquinone
Enzyme
4.1.3.36        6.2.1.26
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        63
            1   C1b C    31.5000  -33.5300
            2   C5a C    32.7600  -32.8300
            3   S2a S    33.9500  -33.5300
            4   C1b C    35.1400  -32.8300
            5   C1b C    36.4000  -33.5300
            6   N1b N    37.5900  -32.8300
            7   C5a C    38.7800  -33.5300
            8   C1b C    40.0400  -32.8300
            9   C1b C    41.2300  -33.5300
            10  N1b N    42.4200  -32.8300
            11  C5a C    43.6800  -33.5300
            12  C1c C    44.8700  -32.8300
            13  C1d C    46.0600  -33.5300
            14  C1b C    47.2500  -32.8300
            15  O2b O    48.5100  -33.5300
            16  O5a O    32.7600  -31.4300
            17  O5a O    38.7800  -34.9300
            18  O5a O    43.6800  -34.9300
            19  O1a O    44.8700  -31.4300
            20  C1a C    46.0600  -32.1300
            21  C1a C    46.0600  -34.9300
            22  P1b P    49.9100  -33.5300
            23  O1c O    51.3100  -33.5300
            24  O1c O    49.9100  -34.9300
            25  C1y C    43.4000  -28.5600
            26  C1y C    44.8000  -28.5600
            27  C1y C    45.2200  -27.2300
            28  O2x O    44.1000  -26.3900
            29  C1y C    42.9800  -27.2300
            30  C1b C    46.5500  -26.8100
            31  O1a O    42.5600  -29.6800
            32  O2b O    45.6400  -29.6800
            33  P1b P    47.0400  -29.6800
            34  O1c O    47.0400  -28.2800
            35  O1c O    48.4400  -29.6800
            36  O1c O    47.0400  -31.0800
            37  C8y C    38.8500  -25.4100
            38  C8y C    38.8500  -26.8100
            39  N4y N    41.3000  -26.8100
            40  C8x C    41.3000  -25.4100
            41  N5x N    40.0400  -24.7100
            42  C8y C    37.6600  -24.7100
            43  N5x N    36.4000  -25.4100
            44  C8x C    36.4000  -26.8100
            45  N5x N    37.6600  -27.5100
            46  N1a N    37.6600  -23.3100
            47  O2b O    48.5100  -27.2300
            48  P1b P    49.9100  -27.2300
            49  O1c O    49.9100  -25.8300
            50  O1c O    51.3100  -27.2300
            51  O2c O    49.9100  -30.4500
            52  C1b C    30.3100  -32.8300
            53  C5a C    29.1200  -33.5300
            54  C8y C    27.9300  -32.8300
            55  O5a O    29.1200  -34.9300
            56  C8x C    26.7400  -33.5300
            57  C8x C    25.4800  -32.8300
            58  C8x C    25.4800  -31.4300
            59  C8x C    26.6700  -30.7300
            60  C8y C    27.9300  -31.4300
            61  C6a C    29.1200  -30.7300
            62  O6a O    30.3100  -31.4300
            63  O6a O    29.1200  -29.3300
BOND        66
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56   53  54 1
            57   53  55 2
            58   54  56 2
            59   56  57 1
            60   57  58 2
            61   58  59 1
            62   59  60 2
            63   54  60 1
            64   60  61 1
            65   61  62 1
            66   61  63 2

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