KEGG   COMPOUND: C21528
Entry
C21528                      Compound                               
Name
(9Z,12Z)-Hexadeca-9,12,15-trienoyl-CoA
Formula
C37H60N7O17P3S
Exact mass
999.2979
Mol weight
999.90
Structure
Reaction
Enzyme
Other DBs
PubChem: 336445166
LinkDB
KCF data

ATOM        65
            1   C1b C    27.8600  -20.8600
            2   C5a C    29.1200  -20.1600
            3   S2a S    30.3100  -20.8600
            4   C1b C    31.5000  -20.1600
            5   C1b C    32.7600  -20.8600
            6   N1b N    33.9500  -20.1600
            7   C5a C    35.1400  -20.8600
            8   C1b C    36.4000  -20.1600
            9   C1b C    37.5900  -20.8600
            10  N1b N    38.7800  -20.1600
            11  C5a C    40.0400  -20.8600
            12  C1c C    41.2300  -20.1600
            13  C1d C    42.4200  -20.8600
            14  C1b C    43.6100  -20.1600
            15  O2b O    44.8700  -20.8600
            16  O5a O    29.1200  -18.7600
            17  O5a O    35.1400  -22.2600
            18  O5a O    40.0400  -22.2600
            19  O1a O    41.2300  -18.7600
            20  C1a C    42.4200  -19.4600
            21  C1a C    42.4200  -22.2600
            22  P1b P    46.2700  -20.8600
            23  O1c O    47.6700  -20.8600
            24  O1c O    46.2700  -22.2600
            25  C1y C    39.7600  -15.8900
            26  C1y C    41.1600  -15.8900
            27  C1y C    41.5800  -14.5600
            28  O2x O    40.4600  -13.7200
            29  C1y C    39.3400  -14.5600
            30  C1b C    42.9100  -14.1400
            31  O1a O    38.9200  -17.0100
            32  O2b O    42.0000  -17.0100
            33  P1b P    43.4000  -17.0100
            34  O1c O    43.4000  -15.6100
            35  O1c O    44.8000  -17.0100
            36  O1c O    43.4000  -18.4100
            37  C8y C    35.2100  -12.7400
            38  C8y C    35.2100  -14.1400
            39  N4y N    37.6600  -14.1400
            40  C8x C    37.6600  -12.7400
            41  N5x N    36.4000  -12.0400
            42  C8y C    34.0200  -12.0400
            43  N5x N    32.7600  -12.7400
            44  C8x C    32.7600  -14.1400
            45  N5x N    34.0200  -14.8400
            46  N1a N    34.0200  -10.6400
            47  O2b O    44.8700  -14.5600
            48  P1b P    46.2700  -14.5600
            49  O1c O    46.2700  -13.1600
            50  O1c O    47.6700  -14.5600
            51  O2c O    46.2700  -17.7800
            52  C1b C    26.6700  -20.1600
            53  C1b C    25.4100  -20.8600
            54  C1b C    24.2200  -20.1600
            55  C1b C    23.0300  -20.8600
            56  C1b C    21.7700  -20.1600
            57  C1b C    20.5800  -20.8600
            58  C2b C    19.3900  -20.1600
            59  C2b C    17.7100  -20.1600
            60  C1b C    16.5200  -20.8600
            61  C2b C    15.3019  -20.1699
            62  C2b C    13.9019  -20.1699
            63  C1b C    12.6895  -20.8699
            64  C2b C    11.4582  -20.1590
            65  C2a C    10.2618  -20.8499
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 2
            62   59  60 1
            63   60  61 1
            64   61  62 2
            65   62  63 1
            66   63  64 1
            67   64  65 2

» Japanese version

DBGET integrated database retrieval system