KEGG   COMPOUND: C01144Help
Entry
C01144                      Compound                               

Name
(S)-3-Hydroxybutanoyl-CoA;
(S)-3-Hydroxybutyryl-CoA
Formula
C25H42N7O18P3S
Exact mass
853.152
Mol weight
853.6234
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fatty acid degradation
Lysine degradation
Benzoate degradation
Tryptophan metabolism
Aminobenzoate degradation
Butanoate metabolism
Carbon fixation pathways in prokaryotes
Metabolic pathways
Microbial metabolism in diverse environments
Carbon metabolism
Fatty acid metabolism
Enzyme
1.1.1.35        1.1.1.157       2.3.1.-         4.2.1.17        
5.1.2.3
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        54
            1   C1b C    29.6324  -41.9300
            2   C5a C    30.8449  -41.2300
            3   S2a S    32.0573  -41.9300
            4   C1b C    33.2697  -41.2300
            5   C1b C    34.4822  -41.9300
            6   N1b N    35.6946  -41.2300
            7   C5a C    36.9070  -41.9300
            8   C1b C    38.1195  -41.2300
            9   C1b C    39.3319  -41.9300
            10  N1b N    40.5444  -41.2300
            11  C5a C    41.7568  -41.9300
            12  C1c C    42.9692  -41.2300
            13  C1d C    44.1817  -41.9300
            14  C1b C    45.3941  -41.2300
            15  O2b O    46.6065  -41.9300
            16  O5a O    30.8449  -39.8302
            17  O5a O    36.9070  -43.3299
            18  O5a O    41.7568  -43.3296
            19  O1a O    42.9692  -39.8300
            20  C1a C    44.1817  -40.5300
            21  C1a C    44.1817  -43.3300
            22  P1b P    48.0065  -41.9300
            23  O1c O    49.4065  -41.9300
            24  O1c O    48.0065  -43.3300
            25  C1y C    41.5100  -36.9600
            26  C1y C    42.9100  -36.9600
            27  C1y C    43.3426  -35.6285
            28  O2x O    42.2100  -34.8056
            29  C1y C    41.0774  -35.6285
            30  C1b C    44.6622  -35.1997
            31  O1a O    40.6871  -38.0926
            32  O2b O    43.7329  -38.0926
            33  P1b P    45.1329  -38.0926
            34  O1c O    45.1329  -36.6926
            35  O1c O    46.5329  -38.0926
            36  O1c O    45.1329  -39.4926
            37  C8y C    36.9600  -33.8100
            38  C8y C    36.9600  -35.2100
            39  N4y N    39.3849  -35.2100
            40  C8x C    39.3849  -33.8100
            41  N5x N    38.1724  -33.1100
            42  C8y C    35.7476  -33.1100
            43  N5x N    34.5351  -33.8100
            44  C8x C    34.5351  -35.2100
            45  N5x N    35.7476  -35.9100
            46  N1a N    35.7476  -31.7102
            47  O2b O    46.6445  -35.6320
            48  P1b P    48.0445  -35.6320
            49  O1c O    48.0445  -34.2320
            50  O1c O    49.4445  -35.6320
            51  O2c O    48.0445  -38.8520
            52  C1c C    28.4033  -41.2202
            53  C1a C    27.1992  -41.9153
            54  O1a O    28.4035  -39.8301
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   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
            56   52  54 1 #Down

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