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 search
Reaction
Pathway
map00062  Fatty acid elongation
map00071  Fatty acid degradation
map01100  Metabolic pathways
map01212  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: 7645
ChEBI: 27402
3DMET: B04987
NIKKAJI: J2.755.077K
LinkDB All DBs
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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