KEGG   COMPOUND: C05261Help
Entry
C05261                      Compound                               

Name
3-Oxotetradecanoyl-CoA
Formula
C35H60N7O18P3S
Exact mass
991.2928
Mol weight
991.8733
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fatty acid elongation
Fatty acid degradation
Metabolic pathways
Fatty acid metabolism
Enzyme
1.1.1.35        1.1.1.211       2.3.1.16
Other DBs
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        64
            1   S2a S    18.6873  -22.3300
            2   C1b C    19.8997  -21.6300
            3   C1b C    21.1122  -22.3300
            4   N1b N    22.3246  -21.6300
            5   C5a C    23.5370  -22.3300
            6   C1b C    24.7495  -21.6300
            7   C1b C    25.9619  -22.3300
            8   N1b N    27.1744  -21.6300
            9   C5a C    28.3868  -22.3300
            10  C1c C    29.5992  -21.6300
            11  C1d C    30.8117  -22.3300
            12  C1b C    32.0241  -21.6300
            13  O2b O    33.2365  -22.3300
            14  O5a O    23.5370  -23.7299
            15  O5a O    28.3868  -23.7296
            16  O1a O    29.5992  -20.2300
            17  C1a C    30.8117  -20.9300
            18  C1a C    30.8117  -23.7300
            19  P1b P    34.6365  -22.3300
            20  O1c O    36.0365  -22.3300
            21  O1c O    34.6365  -23.7300
            22  C1y C    28.1400  -17.3600
            23  C1y C    29.5400  -17.3600
            24  C1y C    29.9726  -16.0285
            25  O2x O    28.8400  -15.2056
            26  C1y C    27.7074  -16.0285
            27  C1b C    31.2922  -15.5997
            28  O1a O    27.3171  -18.4926
            29  O2b O    30.3629  -18.4926
            30  P1b P    31.7629  -18.4926
            31  O1c O    31.7629  -17.0926
            32  O1c O    33.1629  -18.4926
            33  O1c O    31.7629  -19.8926
            34  C8y C    23.5900  -14.2100
            35  C8y C    23.5900  -15.6100
            36  N4y N    26.0149  -15.6100
            37  C8x C    26.0149  -14.2100
            38  N5x N    24.8024  -13.5100
            39  C8y C    22.3776  -13.5100
            40  N5x N    21.1651  -14.2100
            41  C8x C    21.1651  -15.6100
            42  N5x N    22.3776  -16.3100
            43  N1a N    22.3776  -12.1102
            44  O2b O    33.2745  -16.0320
            45  P1b P    34.6745  -16.0320
            46  O1c O    34.6745  -14.6320
            47  O1c O    36.0745  -16.0320
            48  O2c O    34.6745  -19.2520
            49  C5a C    17.4776  -21.6300
            50  C1b C    16.2651  -22.3300
            51  C5a C    15.0527  -21.6300
            52  C1b C    13.8403  -22.3300
            53  C1b C    12.6278  -21.6300
            54  C1b C    11.4154  -22.3300
            55  C1b C    10.2030  -21.6300
            56  C1b C     8.9905  -22.3300
            57  C1b C     7.7781  -21.6300
            58  C1b C     6.5656  -22.3300
            59  O5a O    17.4782  -20.2302
            60  O5a O    15.0527  -20.2300
            61  C1b C     5.3676  -21.6300
            62  C1b C     4.1551  -22.3300
            63  C1b C     2.9427  -21.6300
            64  C1a C     1.7282  -22.3312
BOND        66
            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    5  14 2
            14    9  15 2
            15   10  16 1 #Down
            16   11  17 1
            17   11  18 1
            18   13  19 1
            19   19  20 2
            20   19  21 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   25  26 1
            25   22  26 1
            26   24  27 1 #Down
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   29  30 1
            30   30  31 1
            31   30  32 1
            32   30  33 2
            33   34  35 2
            34   35  36 1
            35   36  37 1
            36   37  38 2
            37   34  38 1
            38   34  39 1
            39   39  40 2
            40   40  41 1
            41   41  42 2
            42   35  42 1
            43   39  43 1
            44   26  36 1 #Down
            45   27  44 1
            46   44  45 1
            47   45  46 1
            48   45  47 2
            49   45  48 1
            50   19  48 1
            51    1  49 1
            52   49  50 1
            53   50  51 1
            54   51  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   49  59 2
            62   51  60 2
            63   58  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1

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