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
Butanoate metabolism
Carbon fixation pathways in prokaryotes
Metabolic pathways
Microbial metabolism in diverse environments
Carbon metabolism
Module
M00374  
Dicarboxylate-hydroxybutyrate cycle
M00375  
Hydroxypropionate-hydroxybutylate cycle
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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