KEGG   COMPOUND: C15980Help
Entry
C15980                      Compound                               

Name
(S)-2-Methylbutanoyl-CoA
Formula
C26H44N7O17P3S
Exact mass
851.1727
Mol weight
851.6505
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00280  Valine, leucine and isoleucine degradation
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Enzyme
1.2.1.25        1.2.7.7         1.3.8.1         1.3.8.7         
1.3.99.12       2.3.1.168
Other DBs
PubChem: 47205293
ChEBI: 90222
NIKKAJI: J971.426J
KCF data Show

ATOM        54
            1   S2a S    13.7900  -23.4500
            2   C1b C    14.9800  -22.7500
            3   C1b C    16.2400  -23.4500
            4   N1b N    17.4300  -22.7500
            5   C5a C    18.6200  -23.4500
            6   C1b C    19.8800  -22.7500
            7   C1b C    21.0700  -23.4500
            8   N1b N    22.2600  -22.7500
            9   C5a C    23.5200  -23.4500
            10  C1c C    24.7100  -22.7500
            11  C1d C    25.9000  -23.4500
            12  C1b C    27.0900  -22.7500
            13  O2b O    28.3500  -23.4500
            14  O5a O    18.6200  -24.8500
            15  O5a O    23.5200  -24.8500
            16  O1a O    24.7100  -21.3500
            17  C1a C    25.9000  -22.0500
            18  C1a C    25.9000  -24.8500
            19  P1b P    29.7500  -23.4500
            20  O1c O    31.1500  -23.4500
            21  O1c O    29.7500  -24.8500
            22  C1y C    23.2400  -18.4800
            23  C1y C    24.6400  -18.4800
            24  C1y C    25.0600  -17.1500
            25  O2x O    23.9400  -16.3100
            26  C1y C    22.8200  -17.1500
            27  C1b C    26.3900  -16.7300
            28  O1a O    22.4000  -19.6000
            29  O2b O    25.4800  -19.6000
            30  P1b P    26.8800  -19.6000
            31  O1c O    26.8800  -18.2000
            32  O1c O    28.2800  -19.6000
            33  O1c O    26.8800  -21.0000
            34  C8y C    18.6900  -15.3300
            35  C8y C    18.6900  -16.7300
            36  N4y N    21.1400  -16.7300
            37  C8x C    21.1400  -15.3300
            38  N5x N    19.8800  -14.6300
            39  C8y C    17.5000  -14.6300
            40  N5x N    16.2400  -15.3300
            41  C8x C    16.2400  -16.7300
            42  N5x N    17.5000  -17.4300
            43  N1a N    17.5000  -13.2300
            44  O2b O    28.3500  -17.1500
            45  P1b P    29.7500  -17.1500
            46  O1c O    29.7500  -15.7500
            47  O1c O    31.1500  -17.1500
            48  O2c O    29.7500  -20.3700
            49  C5a C    12.6000  -22.7500
            50  C1c C    11.3400  -23.4500
            51  C1b C    10.1500  -22.7500
            52  C1a C     8.9600  -23.4500
            53  O5a O    12.6000  -21.3500
            54  C1a C    11.3400  -24.8500
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   50  51 1
            54   51  52 1
            55   49  53 2
            56   50  54 1 #Up

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