KEGG   COMPOUND: C00313Help
Entry
C00313                      Compound                               

Name
Oxalyl-CoA
Formula
C23H36N7O19P3S
Exact mass
839.1
Mol weight
839.5537
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Glyoxylate and dicarboxylate metabolism
Metabolic pathways
Enzyme
1.2.1.17        2.3.1.58        2.8.3.2         2.8.3.16        
2.8.3.19        4.1.1.8         6.2.1.8
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        53
            1   C6a C    11.6900  -21.1400
            2   C5a C    12.9500  -20.4400
            3   S2a S    14.1400  -21.1400
            4   C1b C    15.3300  -20.4400
            5   C1b C    16.5900  -21.1400
            6   N1b N    17.7800  -20.4400
            7   C5a C    18.9700  -21.1400
            8   C1b C    20.2300  -20.4400
            9   C1b C    21.4200  -21.1400
            10  N1b N    22.6100  -20.4400
            11  C5a C    23.8700  -21.1400
            12  C1c C    25.0600  -20.4400
            13  C1d C    26.2500  -21.1400
            14  C1b C    27.4400  -20.4400
            15  O2b O    28.7000  -21.1400
            16  O5a O    12.9500  -19.0400
            17  O5a O    18.9700  -22.5400
            18  O5a O    23.8700  -22.5400
            19  O1a O    25.0600  -19.0400
            20  C1a C    26.2500  -19.7400
            21  C1a C    26.2500  -22.5400
            22  P1b P    30.1000  -21.1400
            23  O1c O    31.5000  -21.1400
            24  O1c O    30.1000  -22.5400
            25  C1y C    23.5900  -16.1700
            26  C1y C    24.9900  -16.1700
            27  C1y C    25.4100  -14.8400
            28  O2x O    24.2900  -14.0000
            29  C1y C    23.1700  -14.8400
            30  C1b C    26.7400  -14.4200
            31  O1a O    22.7500  -17.2900
            32  O2b O    25.8300  -17.2900
            33  P1b P    27.2300  -17.2900
            34  O1c O    27.2300  -15.8900
            35  O1c O    28.6300  -17.2900
            36  O1c O    27.2300  -18.6900
            37  C8y C    19.0400  -13.0200
            38  C8y C    19.0400  -14.4200
            39  N4y N    21.4900  -14.4200
            40  C8x C    21.4900  -13.0200
            41  N5x N    20.2300  -12.3200
            42  C8y C    17.8500  -12.3200
            43  N5x N    16.5900  -13.0200
            44  C8x C    16.5900  -14.4200
            45  N5x N    17.8500  -15.1200
            46  N1a N    17.8500  -10.9200
            47  O2b O    28.7000  -14.8400
            48  P1b P    30.1000  -14.8400
            49  O1c O    30.1000  -13.4400
            50  O1c O    31.5000  -14.8400
            51  O2c O    30.1000  -18.0600
            52  O6a O    10.5000  -20.4400
            53  O6a O    11.6900  -22.5400
BOND        55
            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    1  53 2

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