KEGG   COMPOUND: C18323Help
Entry
C18323                      Compound                               

Name
3-Methylfumaryl-CoA;
(E)-3-Carboxybut-2-enoyl-CoA;
Mesaconyl-C4-CoA
Formula
C26H40N7O19P3S
Exact mass
879.1313
Mol weight
879.6176
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00720  Carbon fixation pathways in prokaryotes
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
Module
M00376  3-Hydroxypropionate bi-cycle
Enzyme
4.2.1.153       5.4.1.3
Other DBs
PubChem: 103061504
ChEBI: 75856
LinkDB All DBs
KCF data Show

ATOM        56
            1   C2b C    11.2700  -21.0700
            2   C2c C    10.0800  -20.3700
            3   C6a C     8.8900  -21.0700
            4   O6a O     7.7700  -20.3700
            5   O6a O     8.8900  -22.4000
            6   C1a C    10.0800  -18.9700
            7   C5a C    12.5300  -20.3700
            8   S2a S    13.7200  -21.0700
            9   C1b C    14.9100  -20.3700
            10  C1b C    16.1700  -21.0700
            11  N1b N    17.3600  -20.3700
            12  C5a C    18.5500  -21.0700
            13  C1b C    19.8100  -20.3700
            14  C1b C    21.0000  -21.0700
            15  N1b N    22.1900  -20.3700
            16  C5a C    23.4500  -21.0700
            17  C1c C    24.6400  -20.3700
            18  C1d C    25.8300  -21.0700
            19  C1b C    27.0200  -20.3700
            20  O2b O    28.2800  -21.0700
            21  O5a O    12.5300  -18.9700
            22  O5a O    18.5500  -22.4700
            23  O5a O    23.4500  -22.4700
            24  O1a O    24.6400  -18.9700
            25  C1a C    25.8300  -19.6700
            26  C1a C    25.8300  -22.4700
            27  P1b P    29.6800  -21.0700
            28  O1c O    31.0800  -21.0700
            29  O1c O    29.6800  -22.4700
            30  C1y C    23.1700  -16.1000
            31  C1y C    24.5700  -16.1000
            32  C1y C    24.9900  -14.7700
            33  O2x O    23.8700  -13.9300
            34  C1y C    22.7500  -14.7700
            35  C1b C    26.3200  -14.3500
            36  O1a O    22.3300  -17.2200
            37  O2b O    25.4100  -17.2200
            38  P1b P    26.8100  -17.2200
            39  O1c O    26.8100  -15.8200
            40  O1c O    28.2100  -17.2200
            41  O1c O    26.8100  -18.6200
            42  C8y C    18.6200  -12.9500
            43  C8y C    18.6200  -14.3500
            44  N4y N    21.0700  -14.3500
            45  C8x C    21.0700  -12.9500
            46  N5x N    19.8100  -12.2500
            47  C8y C    17.4300  -12.2500
            48  N5x N    16.1700  -12.9500
            49  C8x C    16.1700  -14.3500
            50  N5x N    17.4300  -15.0500
            51  N1a N    17.4300  -10.8500
            52  O2b O    28.2800  -14.7700
            53  P1b P    29.6800  -14.7700
            54  O1c O    29.6800  -13.3700
            55  O1c O    31.0800  -14.7700
            56  O2c O    29.6800  -17.9900
BOND        58
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     3   5 2
            5     2   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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