KEGG   COMPOUND: C18026Help
Entry
C18026                      Compound                               

Name
(2S)-Ethylmalonyl-CoA;
(S)-Ethylmalonyl-CoA;
Ethylmalonyl-CoA;
Ethylmalonyl coenzyme A
Formula
C26H42N7O19P3S
Exact mass
881.1469
Mol weight
881.6335
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00630  Glyoxylate and dicarboxylate metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
Module
M00373  Ethylmalonyl pathway
Enzyme
1.3.1.85        4.1.1.94        5.1.99.1        6.4.1.3
Other DBs
PubChem: 96024246
ChEBI: 81456
NIKKAJI: J890.615G
LinkDB All DBs
KCF data Show

ATOM        56
            1   C1c C     9.8700  -20.3000
            2   C6a C     8.7500  -19.6700
            3   C1b C     9.8700  -21.5600
            4   O6a O     7.6300  -20.3000
            5   O6a O     8.7500  -18.3400
            6   C1a C    11.1300  -22.2600
            7   C5a C    11.1300  -19.6000
            8   S2a S    12.3200  -20.3000
            9   C1b C    13.5100  -19.6000
            10  C1b C    14.7700  -20.3000
            11  N1b N    15.9600  -19.6000
            12  C5a C    17.1500  -20.3000
            13  C1b C    18.4100  -19.6000
            14  C1b C    19.6000  -20.3000
            15  N1b N    20.7900  -19.6000
            16  C5a C    22.0500  -20.3000
            17  C1c C    23.2400  -19.6000
            18  C1d C    24.4300  -20.3000
            19  C1b C    25.6200  -19.6000
            20  O2b O    26.8800  -20.3000
            21  O5a O    11.1300  -18.2000
            22  O5a O    17.1500  -21.7000
            23  O5a O    22.0500  -21.7000
            24  O1a O    23.2400  -18.2000
            25  C1a C    24.4300  -18.9000
            26  C1a C    24.4300  -21.7000
            27  P1b P    28.2800  -20.3000
            28  O1c O    29.6800  -20.3000
            29  O1c O    28.2800  -21.7000
            30  C1y C    21.7700  -15.3300
            31  C1y C    23.1700  -15.3300
            32  C1y C    23.5900  -14.0000
            33  O2x O    22.4700  -13.1600
            34  C1y C    21.3500  -14.0000
            35  C1b C    24.9200  -13.5800
            36  O1a O    20.9300  -16.4500
            37  O2b O    24.0100  -16.4500
            38  P1b P    25.4100  -16.4500
            39  O1c O    25.4100  -15.0500
            40  O1c O    26.8100  -16.4500
            41  O1c O    25.4100  -17.8500
            42  C8y C    17.2200  -12.1800
            43  C8y C    17.2200  -13.5800
            44  N4y N    19.6700  -13.5800
            45  C8x C    19.6700  -12.1800
            46  N5x N    18.4100  -11.4800
            47  C8y C    16.0300  -11.4800
            48  N5x N    14.7700  -12.1800
            49  C8x C    14.7700  -13.5800
            50  N5x N    16.0300  -14.2800
            51  N1a N    16.0300  -10.0800
            52  O2b O    26.8800  -14.0000
            53  P1b P    28.2800  -14.0000
            54  O1c O    28.2800  -12.6000
            55  O1c O    29.6800  -14.0000
            56  O2c O    28.2800  -17.2200
BOND        58
            1     1   2 1
            2     1   3 1 #Up
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     1   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   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    7  21 2
            21   12  22 2
            22   16  23 2
            23   17  24 1 #Down
            24   18  25 1
            25   18  26 1
            26   20  27 1
            27   27  28 2
            28   27  29 1
            29   30  31 1
            30   31  32 1
            31   32  33 1
            32   33  34 1
            33   30  34 1
            34   32  35 1 #Down
            35   30  36 1 #Up
            36   31  37 1 #Up
            37   37  38 1
            38   38  39 1
            39   38  40 1
            40   38  41 2
            41   42  43 2
            42   43  44 1
            43   44  45 1
            44   45  46 2
            45   42  46 1
            46   42  47 1
            47   47  48 2
            48   48  49 1
            49   49  50 2
            50   43  50 1
            51   47  51 1
            52   34  44 1 #Down
            53   35  52 1
            54   52  53 1
            55   53  54 1
            56   53  55 2
            57   53  56 1
            58   27  56 1

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