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
1.14.19.1       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: 
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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