KEGG   COMPOUND: C04760Help
Entry
C04760                      Compound                               

Name
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA
Formula
C48H80N7O20P3S
Exact mass
1199.4392
Mol weight
1200.17
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
1.3.99.-        6.2.1.7
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        79
            1   C1y C     4.5586   -2.0345
            2   C1y C     4.0966   -1.7621
            3   C1y C     5.0207   -1.7690
            4   C1y C     4.5517   -2.5207
            5   C1z C     4.0931   -1.2276
            6   C1x C     3.1793   -1.7724
            7   C1z C     5.4793   -2.0379
            8   C1x C     5.0103   -1.2172
            9   C1x C     5.0172   -2.8310
            10  O1a O     4.1172   -2.8517
            11  C1y C     3.6276   -0.9586
            12  C1y C     4.5621   -0.9621
            13  C1a C     4.1000   -0.7034
            14  C1x C     3.1759   -1.2138
            15  C1y C     5.4793   -2.5655
            16  C1x C     5.9379   -1.7759
            17  C1a C     5.4828   -1.5138
            18  C1c C     3.6276   -0.4345
            19  O1a O     4.6931   -0.4552
            20  C1x C     5.9379   -2.8345
            21  C1x C     6.3931   -2.0379
            22  C1b C     3.1724   -0.1759
            23  C1a C     4.0793   -0.1724
            24  C1y C     6.3931   -2.5655
            25  C1b C     2.7207   -0.4379
            26  O1a O     6.8483   -2.8276
            27  C1b C     2.7207   -0.9621
            28  C1c C     2.1966   -0.9621
            29  C5a C     1.9345   -0.5069
            30  C1a C     1.9345   -1.4138
            31  S2a S     1.4103   -0.5069
            32  O5a O     2.1966   -0.0552
            33  C1b C     0.9621   -0.2483
            34  C1b C     0.5069   -0.5069
            35  N1b N     0.0552   -0.2483
            36  C5a C    -0.4000   -0.5069
            37  C1b C    -0.8517   -0.2483
            38  O5a O    -0.4000   -1.0310
            39  C1b C    -1.3069   -0.5103
            40  N1b N    -1.7586   -0.2483
            41  C5a C    -2.2103   -0.5103
            42  C1c C    -2.6655   -0.2483
            43  O5a O    -2.2103   -1.0310
            44  C1d C    -3.4483   -0.5172
            45  O1a O    -2.6655    0.2759
            46  C1b C    -3.9034   -0.2552
            47  C1a C    -3.4621   -0.9621
            48  C1a C    -3.4621    0.0448
            49  O2b O    -4.3552   -0.5172
            50  P1b P    -4.9000   -0.5276
            51  O2c O    -4.9034    0.5379
            52  O1c O    -4.9103   -1.1483
            53  O1c O    -5.4241   -0.5172
            54  P1b P    -4.9034    1.6483
            55  O2b O    -4.0207    1.6379
            56  O1c O    -4.9000    2.1759
            57  O1c O    -5.4276    1.6552
            58  C1b C    -3.3517    1.9966
            59  C1y C    -2.8621    1.8414
            60  C1y C    -2.6966    1.3414
            61  O2x O    -2.4345    2.1483
            62  C1y C    -2.1621    1.3414
            63  O2b O    -2.9621    0.9655
            64  C1y C    -2.0035    1.8345
            65  O1a O    -1.8517    0.9172
            66  P1b P    -3.5207    0.9690
            67  N4y N    -1.7862    2.7414
            68  O1c O    -3.4793    1.4690
            69  O1c O    -4.0310    0.9586
            70  O1c O    -3.5241    0.4448
            71  C8y C    -2.7000    2.7414
            72  C8x C    -1.7828    3.2724
            73  C8y C    -2.7000    3.2724
            74  N5x N    -3.1586    2.4759
            75  N5x N    -2.2414    3.5379
            76  C8y C    -3.1586    3.5345
            77  C8x C    -3.6138    2.7414
            78  N5x N    -3.6138    3.2724
            79  N1a N    -3.1621    4.0586
BOND        85
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Up
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    7  17 1 #Down
            17   11  18 1
            18   12  19 1 #Up
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1 #Up
            23   20  24 1
            24   22  25 1
            25   24  26 1 #Up
            26   25  27 1
            27   27  28 1
            28   28  29 1
            29   28  30 1
            30   29  31 1
            31   29  32 2
            32   31  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   36  38 2
            38   37  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   41  43 2
            43   42  44 1
            44   42  45 1
            45   44  46 1
            46   44  47 1
            47   44  48 1
            48   46  49 1
            49   49  50 1
            50   50  51 1
            51   50  52 1
            52   50  53 2
            53   51  54 1
            54   54  55 1
            55   54  56 1
            56   54  57 2
            57   55  58 1
            58   59  58 1 #Up
            59   59  60 1
            60   59  61 1
            61   60  62 1
            62   60  63 1 #Down
            63   61  64 1
            64   62  65 1 #Down
            65   63  66 1
            66   64  67 1 #Up
            67   66  68 1
            68   66  69 1
            69   66  70 2
            70   67  71 1
            71   67  72 1
            72   71  73 2
            73   71  74 1
            74   72  75 2
            75   73  76 1
            76   74  77 2
            77   76  78 2
            78   76  79 1
            79    8  12 1
            80    9  15 1
            81   11  14 1
            82   21  24 1
            83   62  64 1
            84   73  75 1
            85   77  78 1

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