KEGG   COMPOUND: C21943
Entry
C21943                      Compound                               

Name
Sapienoyl-CoA;
(6Z)-Hexadecenoyl-CoA
Formula
C37H64N7O17P3S
Exact mass
1003.3292
Mol weight
1003.927
Structure
Reaction
Pathway
map01040  Biosynthesis of unsaturated fatty acids
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C21943  (6Z)-Hexadecenoyl-CoA
Other DBs
PubChem: 376218976
KCF data

ATOM        65
            1   C1b C    23.0524  -20.4400
            2   C5a C    24.2649  -19.7400
            3   S2a S    25.4773  -20.4400
            4   C1b C    26.6897  -19.7400
            5   C1b C    27.9022  -20.4400
            6   N1b N    29.1146  -19.7400
            7   C5a C    30.3270  -20.4400
            8   C1b C    31.5395  -19.7400
            9   C1b C    32.7519  -20.4400
            10  N1b N    33.9644  -19.7400
            11  C5a C    35.1768  -20.4400
            12  C1c C    36.3892  -19.7400
            13  C1d C    37.6017  -20.4400
            14  C1b C    38.8141  -19.7400
            15  O2b O    40.0265  -20.4400
            16  O5a O    24.2649  -18.3402
            17  O5a O    30.3270  -21.8399
            18  O5a O    35.1768  -21.8396
            19  O1a O    36.3892  -18.3400
            20  C1a C    37.6017  -19.0400
            21  C1a C    37.6017  -21.8400
            22  P1b P    41.4265  -20.4400
            23  O1c O    42.8265  -20.4400
            24  O1c O    41.4265  -21.8400
            25  C1y C    34.9300  -15.4700
            26  C1y C    36.3300  -15.4700
            27  C1y C    36.7626  -14.1385
            28  O2x O    35.6300  -13.3156
            29  C1y C    34.4974  -14.1385
            30  C1b C    38.0822  -13.7097
            31  O1a O    34.1071  -16.6026
            32  O2b O    37.1529  -16.6026
            33  P1b P    38.5529  -16.6026
            34  O1c O    38.5529  -15.2026
            35  O1c O    39.9529  -16.6026
            36  O1c O    38.5529  -18.0026
            37  C8y C    30.3800  -12.3200
            38  C8y C    30.3800  -13.7200
            39  N4y N    32.8049  -13.7200
            40  C8x C    32.8049  -12.3200
            41  N5x N    31.5924  -11.6200
            42  C8y C    29.1676  -11.6200
            43  N5x N    27.9551  -12.3200
            44  C8x C    27.9551  -13.7200
            45  N5x N    29.1676  -14.4200
            46  N1a N    29.1676  -10.2202
            47  O2b O    40.0645  -14.1420
            48  P1b P    41.4645  -14.1420
            49  O1c O    41.4645  -12.7420
            50  O1c O    42.8645  -14.1420
            51  O2c O    41.4645  -17.3620
            52  C1b C    21.8176  -19.7400
            53  C1b C    20.6051  -20.4400
            54  C1b C    19.3927  -19.7400
            55  C2b C    18.1803  -20.4400
            56  C2b C    16.7803  -20.4400
            57  C1b C    15.5876  -19.7400
            58  C1b C    14.3751  -20.4400
            59  C1b C    13.1627  -19.7400
            60  C1b C    11.9503  -20.4400
            61  C1b C    10.7378  -19.7400
            62  C1b C     9.5254  -20.4400
            63  C1b C     8.3130  -19.7400
            64  C1b C     7.1005  -20.4400
            65  C1a C     5.8654  -19.7266
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 2
            59   56  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1

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