KEGG   COMPOUND: C18324Help
Entry
C18324                      Compound                               

Name
(2S)-Methylsuccinyl-CoA;
Methylsuccinyl-CoA;
Methylsuccinyl-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
1.3.8.12        5.4.99.63
Other DBs
PubChem: 103061505
ChEBI: 81672
KCF data Show

ATOM        56
            1   C1c C    10.5000  -20.5800
            2   C1b C     9.3800  -19.9500
            3   C6a C     8.2600  -20.5800
            4   O6a O     6.9300  -19.7400
            5   O6a O     8.2600  -22.0500
            6   C1a C    10.5000  -21.9800
            7   C5a C    11.7600  -19.8800
            8   S2a S    12.9500  -20.5800
            9   C1b C    14.1400  -19.8800
            10  C1b C    15.4000  -20.5800
            11  N1b N    16.5900  -19.8800
            12  C5a C    17.7800  -20.5800
            13  C1b C    19.0400  -19.8800
            14  C1b C    20.2300  -20.5800
            15  N1b N    21.4200  -19.8800
            16  C5a C    22.6800  -20.5800
            17  C1c C    23.8700  -19.8800
            18  C1d C    25.0600  -20.5800
            19  C1b C    26.2500  -19.8800
            20  O2b O    27.5100  -20.5800
            21  O5a O    11.7600  -18.4800
            22  O5a O    17.7800  -21.9800
            23  O5a O    22.6800  -21.9800
            24  O1a O    23.8700  -18.4800
            25  C1a C    25.0600  -19.1800
            26  C1a C    25.0600  -21.9800
            27  P1b P    28.9100  -20.5800
            28  O1c O    30.3100  -20.5800
            29  O1c O    28.9100  -21.9800
            30  C1y C    22.4000  -15.6100
            31  C1y C    23.8000  -15.6100
            32  C1y C    24.2200  -14.2800
            33  O2x O    23.1000  -13.4400
            34  C1y C    21.9800  -14.2800
            35  C1b C    25.5500  -13.8600
            36  O1a O    21.5600  -16.7300
            37  O2b O    24.6400  -16.7300
            38  P1b P    26.0400  -16.7300
            39  O1c O    26.0400  -15.3300
            40  O1c O    27.4400  -16.7300
            41  O1c O    26.0400  -18.1300
            42  C8y C    17.8500  -12.4600
            43  C8y C    17.8500  -13.8600
            44  N4y N    20.3000  -13.8600
            45  C8x C    20.3000  -12.4600
            46  N5x N    19.0400  -11.7600
            47  C8y C    16.6600  -11.7600
            48  N5x N    15.4000  -12.4600
            49  C8x C    15.4000  -13.8600
            50  N5x N    16.6600  -14.5600
            51  N1a N    16.6600  -10.3600
            52  O2b O    27.5100  -14.2800
            53  P1b P    28.9100  -14.2800
            54  O1c O    28.9100  -12.8800
            55  O1c O    30.3100  -14.2800
            56  O2c O    28.9100  -17.5000
BOND        58
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     1   6 1 #Up
            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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