KEGG   COMPOUND: C05258Help
Entry
C05258                      Compound                               

Name
(S)-3-Hydroxyhexadecanoyl-CoA
Formula
C37H66N7O18P3S
Exact mass
1021.3398
Mol weight
1021.9423
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Fatty acid elongation
Fatty acid degradation
Metabolic pathways
Fatty acid metabolism
Module
M00087  
beta-Oxidation
Enzyme
1.1.1.35        1.1.1.211       4.2.1.17        4.2.1.74
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        66
            1   C1b C    41.8124  -20.5100
            2   C5a C    43.0249  -19.8100
            3   S2a S    44.2373  -20.5100
            4   C1b C    45.4497  -19.8100
            5   C1b C    46.6622  -20.5100
            6   N1b N    47.8746  -19.8100
            7   C5a C    49.0870  -20.5100
            8   C1b C    50.2995  -19.8100
            9   C1b C    51.5119  -20.5100
            10  N1b N    52.7244  -19.8100
            11  C5a C    53.9368  -20.5100
            12  C1c C    55.1492  -19.8100
            13  C1d C    56.3617  -20.5100
            14  C1b C    57.5741  -19.8100
            15  O2b O    58.7865  -20.5100
            16  O5a O    43.0249  -18.4102
            17  O5a O    49.0870  -21.9099
            18  O5a O    53.9368  -21.9096
            19  O1a O    55.1492  -18.4100
            20  C1a C    56.3617  -19.1100
            21  C1a C    56.3617  -21.9100
            22  P1b P    60.1865  -20.5100
            23  O1c O    61.5865  -20.5100
            24  O1c O    60.1865  -21.9100
            25  C1y C    53.6900  -15.5400
            26  C1y C    55.0900  -15.5400
            27  C1y C    55.5226  -14.2085
            28  O2x O    54.3900  -13.3856
            29  C1y C    53.2574  -14.2085
            30  C1b C    56.8422  -13.7797
            31  O1a O    52.8671  -16.6726
            32  O2b O    55.9129  -16.6726
            33  P1b P    57.3129  -16.6726
            34  O1c O    57.3129  -15.2726
            35  O1c O    58.7129  -16.6726
            36  O1c O    57.3129  -18.0726
            37  C8y C    49.1400  -12.3900
            38  C8y C    49.1400  -13.7900
            39  N4y N    51.5649  -13.7900
            40  C8x C    51.5649  -12.3900
            41  N5x N    50.3524  -11.6900
            42  C8y C    47.9276  -11.6900
            43  N5x N    46.7151  -12.3900
            44  C8x C    46.7151  -13.7900
            45  N5x N    47.9276  -14.4900
            46  N1a N    47.9276  -10.2902
            47  O2b O    58.8245  -14.2120
            48  P1b P    60.2245  -14.2120
            49  O1c O    60.2245  -12.8120
            50  O1c O    61.6245  -14.2120
            51  O2c O    60.2245  -17.4320
            52  C1c C    40.5776  -19.8100
            53  C1b C    39.3651  -20.5100
            54  C1b C    38.1527  -19.8100
            55  C1b C    36.9403  -20.5100
            56  C1b C    35.7278  -19.8100
            57  C1b C    34.5154  -20.5100
            58  C1b C    33.3030  -19.8100
            59  C1b C    32.0905  -20.5100
            60  C1b C    30.8781  -19.8100
            61  C1b C    29.6656  -20.5100
            62  C1b C    28.4532  -19.8100
            63  C1b C    27.2408  -20.5100
            64  C1b C    26.0283  -19.8100
            65  C1a C    24.8159  -20.5100
            66  O1a O    40.5720  -18.4103
BOND        68
            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 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
            68   52  66 1 #Down

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