KEGG   COMPOUND: C04644Help
Entry
C04644                      Compound                               

Name
3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA
Formula
C48H80N7O19P3S
Exact mass
1183.4443
Mol weight
1184.1706
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
1.3.99.-        6.2.1.7         6.2.1.28
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        78
            1   C1y C    10.0815  -15.5768
            2   C1y C    10.7637  -15.9708
            3   C1z C    10.0815  -14.7889
            4   C1x C     8.7206  -15.5845
            5   C1y C    11.4424  -15.5879
            6   C1y C    10.7526  -16.6862
            7   C1y C     9.3993  -14.3949
            8   C1x C    10.7672  -14.3984
            9   C1a C    10.0849  -14.0155
            10  C1x C     8.7172  -14.7958
            11  C1z C    12.1135  -15.9819
            12  C1x C    11.4279  -14.7779
            13  C1x C    11.4348  -17.1458
            14  O1a O    10.1139  -17.1749
            15  C1c C     9.3917  -13.6250
            16  C1y C    12.1135  -16.7553
            17  C1x C    12.7846  -15.5914
            18  C1a C    12.1169  -15.2085
            19  C1x C    12.7846  -17.1492
            20  C1x C    13.4523  -15.9819
            21  C1y C    13.4523  -16.7553
            22  O1a O    14.1165  -17.1348
            23  S2a S     5.4254  -13.6258
            24  C1b C     4.7612  -13.2352
            25  C1b C     4.0970  -13.6258
            26  N1b N     3.4293  -13.2352
            27  C5a C     2.7693  -13.6258
            28  C1b C     2.1016  -13.2352
            29  O5a O     2.7693  -14.3880
            30  C1b C     1.4374  -13.6258
            31  N1b N     0.7732  -13.2352
            32  C5a C     0.1096  -13.6258
            33  C1c C    -0.5581  -13.2352
            34  O5a O     0.1096  -14.3880
            35  C1d C    -1.7151  -13.6402
            36  O1a O    -0.5581  -12.4763
            37  C1b C    -2.3717  -13.2497
            38  C1a C    -1.7005  -14.2823
            39  C1a C    -1.7005  -12.8447
            40  O2b O    -3.0393  -13.6402
            41  P1b P    -3.8384  -13.6547
            42  O2c O    -3.8384  -12.0823
            43  O1c O    -3.8453  -14.5595
            44  O1c O    -4.6118  -13.6402
            45  P1b P    -3.8384  -10.4587
            46  O2b O    -2.6198  -10.4401
            47  O1c O    -3.8384   -9.6853
            48  O1c O    -4.6118  -10.4401
            49  C1b C    -1.5651   -9.9480
            50  C1y C    -0.8428  -10.1740
            51  C1y C    -0.6023  -10.9073
            52  O2x O    -0.2228   -9.7254
            53  C1y C     0.1822  -10.9073
            54  O2b O    -0.9962  -11.4547
            55  C1y C     0.4158  -10.1850
            56  O1a O     0.6349  -11.5315
            57  P1b P    -1.8133  -11.4547
            58  N4y N     0.7331   -8.8497
            59  O1c O    -1.7552  -10.7214
            60  O1c O    -2.5611  -11.4693
            61  O1c O    -1.8167  -12.2281
            62  C8y C    -0.6134   -8.8497
            63  C8x C     0.7331   -8.0763
            64  C8y C    -0.6134   -8.0763
            65  N5x N    -1.2845   -9.2436
            66  N5x N     0.0620   -7.6858
            67  C8y C    -1.2845   -7.6892
            68  C8x C    -1.9522   -8.8497
            69  N5x N    -1.9522   -8.0763
            70  N1a N    -1.2845   -6.9405
            71  C5a C     6.0875  -13.2417
            72  C1c C     6.7500  -13.6250
            73  C1b C     7.4125  -13.2417
            74  C1b C     8.0750  -13.6250
            75  C1a C     6.7458  -14.3875
            76  O5a O     6.0871  -12.4762
            77  C1b C     8.7333  -13.2458
            78  C1a C    10.0500  -13.2458
BOND        84
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     3   9 1 #Down
            8     4  10 1
            9     5  11 1
            10    5  12 1
            11    6  13 1
            12    6  14 1 #Up
            13    7  15 1
            14   11  16 1
            15   11  17 1
            16   11  18 1 #Down
            17   16  19 1
            18   17  20 1
            19   19  21 1
            20   23  24 1
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  28 1
            25   27  29 2
            26   28  30 1
            27   30  31 1
            28   31  32 1
            29   32  33 1
            30   32  34 2
            31   33  35 1
            32   33  36 1
            33   35  37 1
            34   35  38 1
            35   35  39 1
            36   37  40 1
            37   40  41 1
            38   41  42 1
            39   41  43 1
            40   41  44 2
            41   42  45 1
            42   45  46 1
            43   45  47 1
            44   45  48 2
            45   46  49 1
            46   50  49 1 #Up
            47   50  51 1
            48   50  52 1
            49   51  53 1
            50   51  54 1 #Down
            51   52  55 1
            52   53  56 1 #Down
            53   54  57 1
            54   55  58 1 #Up
            55   57  59 1
            56   57  60 1
            57   57  61 2
            58   58  62 1
            59   58  63 1
            60   62  64 2
            61   62  65 1
            62   63  66 2
            63   64  67 1
            64   65  68 2
            65   67  69 2
            66   67  70 1
            67   53  55 1
            68   64  66 1
            69   68  69 1
            70   21  22 1 #Up
            71   23  71 1
            72    7  10 1
            73   71  72 1
            74    8  12 1
            75   72  73 1
            76   13  16 1
            77   73  74 1
            78   20  21 1
            79   72  75 1
            80   71  76 2
            81   74  77 1
            82   77  15 1
            83    1   2 1
            84   15  78 1

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