KEGG   COMPOUND: C00313
Entry
C00313                      Compound                               
Name
Oxalyl-CoA
Formula
C23H36N7O19P3S
Exact mass
839.1
Mol weight
839.5537
Structure
Reaction
Pathway
map00630  Glyoxylate and dicarboxylate metabolism
map01100  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
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C00313  Oxalyl-CoA
Other DBs
PubChem: 3607
ChEBI: 15535
LIPIDMAPS: LMFA07050357
PDB-CCD: OXK[PDBj]
3DMET: B04666
NIKKAJI: J2.729.378F
KCF data

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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