KEGG   COMPOUND: C16268Help
Entry
C16268                      Compound                               

Name
Cyclopropanecarboxyl-CoA
Formula
C25H40N7O17P3S
Exact mass
835.1414
Mol weight
835.6081
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
5.5.1.-         6.2.1.-
Other DBs
CAS: 52530-01-5
PubChem: 47205576
ChEBI: 80410
NIKKAJI: J2.799.289G
LinkDB All DBs
KCF data Show

ATOM        53
            1   C1y C    10.2900  -20.8600
            2   C1x C    11.2000  -22.4000
            3   C1x C     9.3800  -22.4000
            4   C5a C    11.3400  -20.1600
            5   S2a S    12.5300  -20.8600
            6   C1b C    13.7200  -20.1600
            7   C1b C    14.9800  -20.8600
            8   N1b N    16.1700  -20.1600
            9   C5a C    17.3600  -20.8600
            10  C1b C    18.6200  -20.1600
            11  C1b C    19.8100  -20.8600
            12  N1b N    21.0000  -20.1600
            13  C5a C    22.2600  -20.8600
            14  C1c C    23.4500  -20.1600
            15  C1d C    24.6400  -20.8600
            16  C1b C    25.8300  -20.1600
            17  O2b O    27.0900  -20.8600
            18  O5a O    11.3400  -18.7600
            19  O5a O    17.3600  -22.2600
            20  O5a O    22.2600  -22.2600
            21  O1a O    23.4500  -18.7600
            22  C1a C    24.6400  -19.4600
            23  C1a C    24.6400  -22.2600
            24  P1b P    28.4900  -20.8600
            25  O1c O    29.8900  -20.8600
            26  O1c O    28.4900  -22.2600
            27  C1y C    21.9800  -15.8900
            28  C1y C    23.3800  -15.8900
            29  C1y C    23.8000  -14.5600
            30  O2x O    22.6800  -13.7200
            31  C1y C    21.5600  -14.5600
            32  C1b C    25.1300  -14.1400
            33  O1a O    21.1400  -17.0100
            34  O2b O    24.2200  -17.0100
            35  P1b P    25.6200  -17.0100
            36  O1c O    25.6200  -15.6100
            37  O1c O    27.0200  -17.0100
            38  O1c O    25.6200  -18.4100
            39  C8y C    17.4300  -12.7400
            40  C8y C    17.4300  -14.1400
            41  N4y N    19.8800  -14.1400
            42  C8x C    19.8800  -12.7400
            43  N5x N    18.6200  -12.0400
            44  C8y C    16.2400  -12.0400
            45  N5x N    14.9800  -12.7400
            46  C8x C    14.9800  -14.1400
            47  N5x N    16.2400  -14.8400
            48  N1a N    16.2400  -10.6400
            49  O2b O    27.0900  -14.5600
            50  P1b P    28.4900  -14.5600
            51  O1c O    28.4900  -13.1600
            52  O1c O    29.8900  -14.5600
            53  O2c O    28.4900  -17.7800
BOND        56
            1     1   2 1
            2     2   3 1
            3     1   3 1
            4     1   4 1
            5     4   5 1
            6     5   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18    4  18 2
            19    9  19 2
            20   13  20 2
            21   14  21 1 #Down
            22   15  22 1
            23   15  23 1
            24   17  24 1
            25   24  25 2
            26   24  26 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   27  31 1
            32   29  32 1 #Down
            33   27  33 1 #Up
            34   28  34 1 #Up
            35   34  35 1
            36   35  36 1
            37   35  37 1
            38   35  38 2
            39   39  40 2
            40   40  41 1
            41   41  42 1
            42   42  43 2
            43   39  43 1
            44   39  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   40  47 1
            49   44  48 1
            50   31  41 1 #Down
            51   32  49 1
            52   49  50 1
            53   50  51 1
            54   50  52 2
            55   50  53 1
            56   24  53 1

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