KEGG   COMPOUND: C00510Help
Entry
C00510                      Compound                               

Name
Oleoyl-CoA;
(9Z)-Octadecenoyl-CoA
Formula
C39H68N7O17P3S
Exact mass
1031.3605
Mol weight
1031.9802
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of unsaturated fatty acids
Fatty acid metabolism
Enzyme
1.14.13.204     1.14.19.1       1.14.19.6       3.1.2.2
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C00510  (9Z)-Ocatadecenoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        67
            1   C1b C    39.9000  -26.2500
            2   C5a C    41.1600  -25.5500
            3   S2a S    42.3500  -26.2500
            4   C1b C    43.5400  -25.5500
            5   C1b C    44.8000  -26.2500
            6   N1b N    45.9900  -25.5500
            7   C5a C    47.1800  -26.2500
            8   C1b C    48.4400  -25.5500
            9   C1b C    49.6300  -26.2500
            10  N1b N    50.8200  -25.5500
            11  C5a C    52.0800  -26.2500
            12  C1c C    53.2700  -25.5500
            13  C1d C    54.4600  -26.2500
            14  C1b C    55.6500  -25.5500
            15  O2b O    56.9100  -26.2500
            16  O5a O    41.1600  -24.1500
            17  O5a O    47.1800  -27.6500
            18  O5a O    52.0800  -27.6500
            19  O1a O    53.2700  -24.1500
            20  C1a C    54.4600  -24.8500
            21  C1a C    54.4600  -27.6500
            22  P1b P    58.3100  -26.2500
            23  O1c O    59.7100  -26.2500
            24  O1c O    58.3100  -27.6500
            25  C1y C    51.8000  -21.2800
            26  C1y C    53.2000  -21.2800
            27  C1y C    53.6200  -19.9500
            28  O2x O    52.5000  -19.1100
            29  C1y C    51.3800  -19.9500
            30  C1b C    54.9500  -19.5300
            31  O1a O    50.9600  -22.4000
            32  O2b O    54.0400  -22.4000
            33  P1b P    55.4400  -22.4000
            34  O1c O    55.4400  -21.0000
            35  O1c O    56.8400  -22.4000
            36  O1c O    55.4400  -23.8000
            37  C8y C    47.2500  -18.1300
            38  C8y C    47.2500  -19.5300
            39  N4y N    49.7000  -19.5300
            40  C8x C    49.7000  -18.1300
            41  N5x N    48.4400  -17.4300
            42  C8y C    46.0600  -17.4300
            43  N5x N    44.8000  -18.1300
            44  C8x C    44.8000  -19.5300
            45  N5x N    46.0600  -20.2300
            46  N1a N    46.0600  -16.0300
            47  O2b O    56.9100  -19.9500
            48  P1b P    58.3100  -19.9500
            49  O1c O    58.3100  -18.5500
            50  O1c O    59.7100  -19.9500
            51  O2c O    58.3100  -23.1700
            52  C1b C    38.7800  -25.6200
            53  C1b C    37.5900  -26.3200
            54  C1b C    36.4000  -25.6200
            55  C1b C    35.2100  -26.3200
            56  C1b C    34.0200  -25.6200
            57  C1b C    32.8300  -26.3200
            58  C2b C    31.5700  -25.6200
            59  C2b C    30.2400  -25.6200
            60  C1b C    28.9800  -26.2500
            61  C1b C    27.7900  -25.5500
            62  C1b C    26.6000  -26.2500
            63  C1b C    25.4100  -25.6200
            64  C1b C    24.2200  -26.2500
            65  C1b C    23.1000  -25.6200
            66  C1b C    21.9100  -26.2500
            67  C1a C    20.7200  -25.6200
BOND        69
            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 1
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1

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