KEGG   COMPOUND: C16216Help
Entry
C16216                      Compound                               

Name
3-Oxostearoyl-CoA;
3-Oxooctadecanoyl-CoA;
beta-Ketostearoyl-CoA;
3-Ketostearoyl-CoA
Formula
C39H68N7O18P3S
Exact mass
1047.3554
Mol weight
1047.9796
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fatty acid metabolism
Enzyme
1.1.1.330       2.3.1.199
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C16216  3-Oxooctadecanoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        68
            1   C1b C    20.7200  -21.0700
            2   C5a C    19.5300  -20.3700
            3   C1b C    18.3400  -21.0700
            4   C1b C    17.1500  -20.3700
            5   C1b C    15.9600  -21.0700
            6   C1b C    14.7700  -20.3700
            7   C1b C    13.5800  -21.0700
            8   C1b C    12.3900  -20.3700
            9   C1b C    11.2000  -21.0700
            10  C1b C    10.0100  -20.3700
            11  C1b C     8.8200  -21.0700
            12  C1b C     7.6300  -20.3700
            13  C1b C     6.4400  -21.0700
            14  O5a O    19.5300  -18.9700
            15  C1b C     5.2500  -20.3700
            16  C1b C     4.1300  -21.0700
            17  C1b C     2.9400  -20.3700
            18  C1a C     1.7500  -21.0700
            19  C5a C    21.9800  -20.3700
            20  S2a S    23.1700  -21.0700
            21  C1b C    24.3600  -20.3700
            22  C1b C    25.6200  -21.0700
            23  N1b N    26.8100  -20.3700
            24  C5a C    28.0000  -21.0700
            25  C1b C    29.2600  -20.3700
            26  C1b C    30.4500  -21.0700
            27  N1b N    31.6400  -20.3700
            28  C5a C    32.9000  -21.0700
            29  C1c C    34.0900  -20.3700
            30  C1d C    35.2800  -21.0700
            31  C1b C    36.4700  -20.3700
            32  O2b O    37.7300  -21.0700
            33  O5a O    21.9800  -18.9700
            34  O5a O    28.0000  -22.4700
            35  O5a O    32.9000  -22.4700
            36  O1a O    34.0900  -18.9700
            37  C1a C    35.2800  -19.6700
            38  C1a C    35.2800  -22.4700
            39  P1b P    39.1300  -21.0700
            40  O1c O    40.5300  -21.0700
            41  O1c O    39.1300  -22.4700
            42  C1y C    32.6200  -16.1000
            43  C1y C    34.0200  -16.1000
            44  C1y C    34.4400  -14.7700
            45  O2x O    33.3200  -13.9300
            46  C1y C    32.2000  -14.7700
            47  C1b C    35.7700  -14.3500
            48  O1a O    31.7800  -17.2200
            49  O2b O    34.8600  -17.2200
            50  P1b P    36.2600  -17.2200
            51  O1c O    36.2600  -15.8200
            52  O1c O    37.6600  -17.2200
            53  O1c O    36.2600  -18.6200
            54  C8y C    28.0700  -12.9500
            55  C8y C    28.0700  -14.3500
            56  N4y N    30.5200  -14.3500
            57  C8x C    30.5200  -12.9500
            58  N5x N    29.2600  -12.2500
            59  C8y C    26.8800  -12.2500
            60  N5x N    25.6200  -12.9500
            61  C8x C    25.6200  -14.3500
            62  N5x N    26.8800  -15.0500
            63  N1a N    26.8800  -10.8500
            64  O2b O    37.7300  -14.7700
            65  P1b P    39.1300  -14.7700
            66  O1c O    39.1300  -13.3700
            67  O1c O    40.5300  -14.7700
            68  O2c O    39.1300  -17.9900
BOND        70
            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    2  14 2
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18    1  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   19  33 2
            33   24  34 2
            34   28  35 2
            35   29  36 1 #Down
            36   30  37 1
            37   30  38 1
            38   32  39 1
            39   39  40 2
            40   39  41 1
            41   42  43 1
            42   43  44 1
            43   44  45 1
            44   45  46 1
            45   42  46 1
            46   44  47 1 #Down
            47   42  48 1 #Up
            48   43  49 1 #Up
            49   49  50 1
            50   50  51 1
            51   50  52 1
            52   50  53 2
            53   54  55 2
            54   55  56 1
            55   56  57 1
            56   57  58 2
            57   54  58 1
            58   54  59 1
            59   59  60 2
            60   60  61 1
            61   61  62 2
            62   55  62 1
            63   59  63 1
            64   46  56 1 #Down
            65   47  64 1
            66   64  65 1
            67   65  66 1
            68   65  67 2
            69   65  68 1
            70   39  68 1

» Japanese version

DBGET integrated database retrieval system