KEGG   COMPOUND: C20998
Entry
C20998                      Compound                               
Name
(11Z)-Hexadec-11-enoyl-CoA
Formula
C37H64N7O17P3S
Exact mass
1003.3292
Mol weight
1003.93
Structure
Reaction
Enzyme
Other DBs
PubChem: 254741456
LinkDB
KCF data

ATOM        65
            1   C1b C    29.1424  -22.6100
            2   C5a C    30.3549  -21.9100
            3   S2a S    31.5673  -22.6100
            4   C1b C    32.7797  -21.9100
            5   C1b C    33.9922  -22.6100
            6   N1b N    35.2046  -21.9100
            7   C5a C    36.4170  -22.6100
            8   C1b C    37.6295  -21.9100
            9   C1b C    38.8419  -22.6100
            10  N1b N    40.0544  -21.9100
            11  C5a C    41.2668  -22.6100
            12  C1c C    42.4792  -21.9100
            13  C1d C    43.6917  -22.6100
            14  C1b C    44.9041  -21.9100
            15  O2b O    46.1165  -22.6100
            16  O5a O    30.3549  -20.5102
            17  O5a O    36.4170  -24.0099
            18  O5a O    41.2668  -24.0096
            19  O1a O    42.4792  -20.5100
            20  C1a C    43.6917  -21.2100
            21  C1a C    43.6917  -24.0100
            22  P1b P    47.5165  -22.6100
            23  O1c O    48.9165  -22.6100
            24  O1c O    47.5165  -24.0100
            25  C1y C    41.0200  -17.6400
            26  C1y C    42.4200  -17.6400
            27  C1y C    42.8526  -16.3085
            28  O2x O    41.7200  -15.4856
            29  C1y C    40.5874  -16.3085
            30  C1b C    44.1722  -15.8797
            31  O1a O    40.1971  -18.7726
            32  O2b O    43.2429  -18.7726
            33  P1b P    44.6429  -18.7726
            34  O1c O    44.6429  -17.3726
            35  O1c O    46.0429  -18.7726
            36  O1c O    44.6429  -20.1726
            37  C8y C    36.4700  -14.4900
            38  C8y C    36.4700  -15.8900
            39  N4y N    38.8949  -15.8900
            40  C8x C    38.8949  -14.4900
            41  N5x N    37.6824  -13.7900
            42  C8y C    35.2576  -13.7900
            43  N5x N    34.0451  -14.4900
            44  C8x C    34.0451  -15.8900
            45  N5x N    35.2576  -16.5900
            46  N1a N    35.2576  -12.3902
            47  O2b O    46.1545  -16.3120
            48  P1b P    47.5545  -16.3120
            49  O1c O    47.5545  -14.9120
            50  O1c O    48.9545  -16.3120
            51  O2c O    47.5545  -19.5320
            52  C1b C    27.9076  -21.9100
            53  C1b C    26.6951  -22.6100
            54  C1b C    25.4827  -21.9100
            55  C1b C    24.2703  -22.6100
            56  C1b C    23.0578  -21.9100
            57  C1b C    21.8454  -22.6100
            58  C1b C    20.6330  -21.9100
            59  C1b C    19.4205  -22.6100
            60  C2b C    18.2081  -21.9100
            61  C2b C    16.8081  -21.9100
            62  C1b C    15.5957  -22.6100
            63  C1b C    14.3940  -21.9162
            64  C1b C    13.2038  -22.6034
            65  C1a C    12.0139  -21.9164
BOND        67
            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   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 2
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1

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