KEGG   COMPOUND: C02411Help
Entry
C02411                      Compound                               

Name
Glutaconyl-1-CoA;
4-Carboxybut-2-enoyl-CoA;
Glutaconyl-CoA;
(E)-Glutaconyl-CoA;
(2E)-4-Carboxybut-2-enoyl-CoA
Formula
C26H40N7O19P3S
Exact mass
879.1313
Mol weight
879.6176
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Benzoate degradation
Butanoate metabolism
Microbial metabolism in diverse environments
Enzyme
1.3.8.6         1.3.99.32       2.8.3.12        4.1.1.70        
4.2.1.-
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        56
            1   C2b C    30.6824  -42.4200
            2   C5a C    31.8949  -41.7200
            3   S2a S    33.1073  -42.4200
            4   C1b C    34.3197  -41.7200
            5   C1b C    35.5322  -42.4200
            6   N1b N    36.7446  -41.7200
            7   C5a C    37.9570  -42.4200
            8   C1b C    39.1695  -41.7200
            9   C1b C    40.3819  -42.4200
            10  N1b N    41.5944  -41.7200
            11  C5a C    42.8068  -42.4200
            12  C1c C    44.0192  -41.7200
            13  C1d C    45.2317  -42.4200
            14  C1b C    46.4441  -41.7200
            15  O2b O    47.6565  -42.4200
            16  O5a O    31.8949  -40.3202
            17  O5a O    37.9570  -43.8199
            18  O5a O    42.8068  -43.8196
            19  O1a O    44.0192  -40.3200
            20  C1a C    45.2317  -41.0200
            21  C1a C    45.2317  -43.8200
            22  P1b P    49.0565  -42.4200
            23  O1c O    50.4565  -42.4200
            24  O1c O    49.0565  -43.8200
            25  C1y C    42.5600  -37.4500
            26  C1y C    43.9600  -37.4500
            27  C1y C    44.3926  -36.1185
            28  O2x O    43.2600  -35.2956
            29  C1y C    42.1274  -36.1185
            30  C1b C    45.7122  -35.6897
            31  O1a O    41.7371  -38.5826
            32  O2b O    44.7829  -38.5826
            33  P1b P    46.1829  -38.5826
            34  O1c O    46.1829  -37.1826
            35  O1c O    47.5829  -38.5826
            36  O1c O    46.1829  -39.9826
            37  C8y C    38.0100  -34.3000
            38  C8y C    38.0100  -35.7000
            39  N4y N    40.4349  -35.7000
            40  C8x C    40.4349  -34.3000
            41  N5x N    39.2224  -33.6000
            42  C8y C    36.7976  -33.6000
            43  N5x N    35.5851  -34.3000
            44  C8x C    35.5851  -35.7000
            45  N5x N    36.7976  -36.4000
            46  N1a N    36.7976  -32.2002
            47  O2b O    47.6945  -36.1220
            48  P1b P    49.0945  -36.1220
            49  O1c O    49.0945  -34.7220
            50  O1c O    50.4945  -36.1220
            51  O2c O    49.0945  -39.3420
            52  C2b C    29.4476  -41.7200
            53  C1b C    28.2351  -42.4200
            54  C6a C    27.0227  -41.7200
            55  O6a O    25.8103  -42.4200
            56  O6a O    27.0227  -40.3200
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   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 2
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   54  56 2

» Japanese version

DBGET integrated database retrieval system