KEGG   COMPOUND: C00136Help
Entry
C00136                      Compound                               

Name
Butanoyl-CoA;
Butyryl-CoA
Formula
C25H42N7O17P3S
Exact mass
837.1571
Mol weight
837.624
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fatty acid elongation
Fatty acid degradation
Lysine degradation
Glyoxylate and dicarboxylate metabolism
Butanoate metabolism
Biosynthesis of type II polyketide backbone
Metabolic pathways
Carbon metabolism
Fatty acid metabolism
Enzyme
1.2.1.10        1.2.1.57        1.2.1.87        1.3.1.44        
1.3.1.86        1.3.3.6         1.3.8.1         1.3.8.7         
1.3.99.-        2.3.1.9         2.3.1.16        2.3.1.19        
2.3.1.-         2.3.3.7         2.8.3.8         2.8.3.9         
4.1.1.94        5.4.99.13       6.2.1.2         6.4.1.3
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        53
            1   C1b C     9.0524  -18.4800
            2   C5a C    10.2649  -17.7800
            3   S2a S    11.4773  -18.4800
            4   C1b C    12.6897  -17.7800
            5   C1b C    13.9022  -18.4800
            6   N1b N    15.1146  -17.7800
            7   C5a C    16.3270  -18.4800
            8   C1b C    17.5395  -17.7800
            9   C1b C    18.7519  -18.4800
            10  N1b N    19.9644  -17.7800
            11  C5a C    21.1768  -18.4800
            12  C1c C    22.3892  -17.7800
            13  C1d C    23.6017  -18.4800
            14  C1b C    24.8141  -17.7800
            15  O2b O    26.0265  -18.4800
            16  O5a O    10.2649  -16.3802
            17  O5a O    16.3270  -19.8799
            18  O5a O    21.1768  -19.8796
            19  O1a O    22.3892  -16.3800
            20  C1a C    23.6017  -17.0800
            21  C1a C    23.6017  -19.8800
            22  P1b P    27.4265  -18.4800
            23  O1c O    28.8265  -18.4800
            24  O1c O    27.4265  -19.8800
            25  C1y C    20.9300  -13.5100
            26  C1y C    22.3300  -13.5100
            27  C1y C    22.7626  -12.1785
            28  O2x O    21.6300  -11.3556
            29  C1y C    20.4974  -12.1785
            30  C1b C    24.0822  -11.7497
            31  O1a O    20.1071  -14.6426
            32  O2b O    23.1529  -14.6426
            33  P1b P    24.5529  -14.6426
            34  O1c O    24.5529  -13.2426
            35  O1c O    25.9529  -14.6426
            36  O1c O    24.5529  -16.0426
            37  C8y C    16.3800  -10.3600
            38  C8y C    16.3800  -11.7600
            39  N4y N    18.8049  -11.7600
            40  C8x C    18.8049  -10.3600
            41  N5x N    17.5924   -9.6600
            42  C8y C    15.1676   -9.6600
            43  N5x N    13.9551  -10.3600
            44  C8x C    13.9551  -11.7600
            45  N5x N    15.1676  -12.4600
            46  N1a N    15.1676   -8.2602
            47  O2b O    26.0645  -12.1820
            48  P1b P    27.4645  -12.1820
            49  O1c O    27.4645  -10.7820
            50  O1c O    28.8645  -12.1820
            51  O2c O    27.4645  -15.4020
            52  C1b C     7.8233  -17.7702
            53  C1a C     6.6192  -18.4653
BOND        55
            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 1
            55   52  53 1

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