KEGG   COMPOUND: C11062Help
Entry
C11062                      Compound                               
Name
4-Hydroxybutyryl-CoA;
4-Hydroxybutanoyl-CoA
Formula
C25H42N7O18P3S
Exact mass
853.152
Mol weight
853.6234
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Carbon fixation pathways in prokaryotes
Microbial metabolism in diverse environments
Enzyme
2.8.3.-         4.2.1.120       6.2.1.-
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        54
            1   S2a S    10.0800  -20.8600
            2   C1b C    11.2700  -20.1600
            3   C1b C    12.5300  -20.8600
            4   N1b N    13.7200  -20.1600
            5   C5a C    14.9100  -20.8600
            6   C1b C    16.1700  -20.1600
            7   C1b C    17.3600  -20.8600
            8   N1b N    18.5500  -20.1600
            9   C5a C    19.8100  -20.8600
            10  C1c C    21.0000  -20.1600
            11  C1d C    22.1900  -20.8600
            12  C1b C    23.3800  -20.1600
            13  O2b O    24.6400  -20.8600
            14  O5a O    14.9100  -22.2600
            15  O5a O    19.8100  -22.2600
            16  O1a O    21.0000  -18.7600
            17  C1a C    22.1900  -19.4600
            18  C1a C    22.1900  -22.2600
            19  P1b P    26.0400  -20.8600
            20  O1c O    27.4400  -20.8600
            21  O1c O    26.0400  -22.2600
            22  C1y C    19.5300  -15.8900
            23  C1y C    20.9300  -15.8900
            24  C1y C    21.3500  -14.5600
            25  O2x O    20.2300  -13.7200
            26  C1y C    19.1100  -14.5600
            27  C1b C    22.6800  -14.1400
            28  O1a O    18.6900  -17.0100
            29  O2b O    21.7700  -17.0100
            30  P1b P    23.1700  -17.0100
            31  O1c O    23.1700  -15.6100
            32  O1c O    24.5700  -17.0100
            33  O1c O    23.1700  -18.4100
            34  C8y C    14.9800  -12.7400
            35  C8y C    14.9800  -14.1400
            36  N4y N    17.4300  -14.1400
            37  C8x C    17.4300  -12.7400
            38  N5x N    16.1700  -12.0400
            39  C8y C    13.7900  -12.0400
            40  N5x N    12.5300  -12.7400
            41  C8x C    12.5300  -14.1400
            42  N5x N    13.7900  -14.8400
            43  N1a N    13.7900  -10.6400
            44  O2b O    24.6400  -14.5600
            45  P1b P    26.0400  -14.5600
            46  O1c O    26.0400  -13.1600
            47  O1c O    27.4400  -14.5600
            48  O2c O    26.0400  -17.7800
            49  C5a C     8.9600  -20.2300
            50  C1b C     7.8400  -20.8600
            51  O5a O     8.9600  -18.9000
            52  C1b C     6.7200  -20.2300
            53  C1b C     5.6000  -20.8600
            54  O1a O     4.4800  -20.2300
BOND        56
            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   49  51 2
            54   50  52 1
            55   52  53 1
            56   53  54 1

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