KEGG   COMPOUND: C06028Help
Entry
C06028                      Compound                               

Name
2-Methylfumaryl-CoA;
Mesaconyl-CoA;
Mesaconyl-C1-CoA;
(E)-3-Carboxy-2-methylprop-2-enoyl-CoA
Formula
C26H40N7O19P3S
Exact mass
879.1313
Mol weight
879.6176
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Glyoxylate and dicarboxylate metabolism
C5-Branched dibasic acid metabolism
Carbon fixation pathways in prokaryotes
Microbial metabolism in diverse environments
Carbon metabolism
Module
M00373  
Ethylmalonyl pathway
M00376  
3-Hydroxypropionate bi-cycle
M00740  
Methylaspartate cycle
Enzyme
1.3.8.12        2.8.3.-         4.2.1.148       5.4.1.3
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        56
            1   S2a S    13.0173  -20.5800
            2   C1b C    14.2297  -19.8800
            3   C1b C    15.4422  -20.5800
            4   N1b N    16.6546  -19.8800
            5   C5a C    17.8670  -20.5800
            6   C1b C    19.0795  -19.8800
            7   C1b C    20.2919  -20.5800
            8   N1b N    21.5044  -19.8800
            9   C5a C    22.7168  -20.5800
            10  C1c C    23.9292  -19.8800
            11  C1d C    25.1417  -20.5800
            12  C1b C    26.3541  -19.8800
            13  O2b O    27.5665  -20.5800
            14  O5a O    17.8670  -21.9799
            15  O5a O    22.7168  -21.9796
            16  O1a O    23.9292  -18.4800
            17  C1a C    25.1417  -19.1800
            18  C1a C    25.1417  -21.9800
            19  P1b P    28.9665  -20.5800
            20  O1c O    30.3665  -20.5800
            21  O1c O    28.9665  -21.9800
            22  C1y C    22.4700  -15.6100
            23  C1y C    23.8700  -15.6100
            24  C1y C    24.3026  -14.2785
            25  O2x O    23.1700  -13.4556
            26  C1y C    22.0374  -14.2785
            27  C1b C    25.6222  -13.8497
            28  O1a O    21.6471  -16.7426
            29  O2b O    24.6929  -16.7426
            30  P1b P    26.0929  -16.7426
            31  O1c O    26.0929  -15.3426
            32  O1c O    27.4929  -16.7426
            33  O1c O    26.0929  -18.1426
            34  C8y C    17.9200  -12.4600
            35  C8y C    17.9200  -13.8600
            36  N4y N    20.3449  -13.8600
            37  C8x C    20.3449  -12.4600
            38  N5x N    19.1324  -11.7600
            39  C8y C    16.7076  -11.7600
            40  N5x N    15.4951  -12.4600
            41  C8x C    15.4951  -13.8600
            42  N5x N    16.7076  -14.5600
            43  N1a N    16.7076  -10.3602
            44  O2b O    27.6045  -14.2820
            45  P1b P    29.0045  -14.2820
            46  O1c O    29.0045  -12.8820
            47  O1c O    30.4045  -14.2820
            48  O2c O    29.0045  -17.5020
            49  C5a C    11.8076  -19.8800
            50  C2c C    10.5951  -20.5800
            51  C2b C     9.3827  -19.8800
            52  C6a C     8.1703  -20.5800
            53  O6a O     6.9578  -19.8800
            54  O5a O    11.8082  -18.4802
            55  C1a C    10.5951  -21.9798
            56  O6a O     8.1703  -21.9799
BOND        58
            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    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   50  51 2
            54   51  52 1
            55   52  53 1
            56   49  54 2
            57   50  55 1
            58   52  56 2

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