KEGG   COMPOUND: C05262Help
Entry
C05262                      Compound                               

Name
(S)-3-Hydroxydodecanoyl-CoA
Formula
C33H58N7O18P3S
Exact mass
965.2772
Mol weight
965.836
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       4.2.1.17        4.2.1.74
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0705 Fatty acyl CoAs
    C05262  (S)-3-Hydroxydodecanoyl-CoA
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        62
            1   S2a S    16.3073  -21.4200
            2   C1b C    17.5197  -20.7200
            3   C1b C    18.7322  -21.4200
            4   N1b N    19.9446  -20.7200
            5   C5a C    21.1570  -21.4200
            6   C1b C    22.3695  -20.7200
            7   C1b C    23.5819  -21.4200
            8   N1b N    24.7944  -20.7200
            9   C5a C    26.0068  -21.4200
            10  C1c C    27.2192  -20.7200
            11  C1d C    28.4317  -21.4200
            12  C1b C    29.6441  -20.7200
            13  O2b O    30.8565  -21.4200
            14  O5a O    21.1570  -22.8199
            15  O5a O    26.0068  -22.8196
            16  O1a O    27.2192  -19.3200
            17  C1a C    28.4317  -20.0200
            18  C1a C    28.4317  -22.8200
            19  P1b P    32.2565  -21.4200
            20  O1c O    33.6565  -21.4200
            21  O1c O    32.2565  -22.8200
            22  C1y C    25.7600  -16.4500
            23  C1y C    27.1600  -16.4500
            24  C1y C    27.5926  -15.1185
            25  O2x O    26.4600  -14.2956
            26  C1y C    25.3274  -15.1185
            27  C1b C    28.9122  -14.6897
            28  O1a O    24.9371  -17.5826
            29  O2b O    27.9829  -17.5826
            30  P1b P    29.3829  -17.5826
            31  O1c O    29.3829  -16.1826
            32  O1c O    30.7829  -17.5826
            33  O1c O    29.3829  -18.9826
            34  C8y C    21.2100  -13.3000
            35  C8y C    21.2100  -14.7000
            36  N4y N    23.6349  -14.7000
            37  C8x C    23.6349  -13.3000
            38  N5x N    22.4224  -12.6000
            39  C8y C    19.9976  -12.6000
            40  N5x N    18.7851  -13.3000
            41  C8x C    18.7851  -14.7000
            42  N5x N    19.9976  -15.4000
            43  N1a N    19.9976  -11.2002
            44  O2b O    30.8945  -15.1220
            45  P1b P    32.2945  -15.1220
            46  O1c O    32.2945  -13.7220
            47  O1c O    33.6945  -15.1220
            48  O2c O    32.2945  -18.3420
            49  C5a C    15.0976  -20.7200
            50  C1b C    13.8851  -21.4200
            51  C1c C    12.6727  -20.7200
            52  C1b C    11.4603  -21.4200
            53  C1b C    10.2478  -20.7200
            54  C1b C     9.0354  -21.4200
            55  C1b C     7.8230  -20.7200
            56  C1b C     6.6105  -21.4200
            57  C1b C     5.3981  -20.7200
            58  C1b C     4.1856  -21.4200
            59  C1b C     2.9732  -20.7200
            60  O5a O    15.0982  -19.3202
            61  O1a O    12.6727  -19.3200
            62  C1a C     1.7361  -21.4346
BOND        64
            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   58  59 1
            62   49  60 2
            63   51  61 1 #Down
            64   59  62 1

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