KEGG   COMPOUND: C23010
Entry
C23010                      Compound                               
Name
3-Oxocholest-4,24-dien-26-oyl-CoA
Formula
C48H74N7O18P3S
Exact mass
1161.4024
Mol weight
1162.12
Structure
Reaction
Pathway
map00984  Steroid degradation
Enzyme
1.3.99.-        4.2.1.-
Other DBs
PubChem: 507530369
LinkDB
KCF data

ATOM        77
            1   S2a S    17.7119  -17.8788
            2   C1b C    18.8509  -17.2088
            3   C1b C    20.0570  -17.8788
            4   N1b N    21.1960  -17.2088
            5   C5a C    22.3351  -17.8788
            6   C1b C    23.5411  -17.2088
            7   C1b C    24.6802  -17.8788
            8   N1b N    25.8192  -17.2088
            9   C5a C    27.0253  -17.8788
            10  C1c C    28.1643  -17.2088
            11  C1d C    29.3034  -17.8788
            12  C1b C    30.4424  -17.2088
            13  O2b O    31.6486  -17.8788
            14  O5a O    22.3351  -19.2189
            15  O5a O    27.0253  -19.2189
            16  O1a O    28.1643  -15.8688
            17  C1a C    29.3034  -16.5388
            18  C1a C    29.3034  -19.2189
            19  P1b P    32.9886  -17.8788
            20  O1c O    34.3287  -17.8788
            21  O1c O    32.9886  -19.2189
            22  C1y C    26.7572  -13.1216
            23  C1y C    28.0973  -13.1216
            24  C1y C    28.4993  -11.8486
            25  O2x O    27.4273  -11.0445
            26  C1y C    26.3552  -11.8486
            27  C1b C    29.7724  -11.4466
            28  O1a O    25.9532  -14.1937
            29  O2b O    28.9013  -14.1937
            30  P1b P    30.2414  -14.1937
            31  O1c O    30.2414  -12.8536
            32  O1c O    31.5816  -14.1937
            33  O1c O    30.2414  -15.5337
            34  C8y C    22.4021  -10.1065
            35  C8y C    22.4021  -11.4466
            36  N4y N    24.7472  -11.4466
            37  C8x C    24.7472  -10.1065
            38  N5x N    23.5411   -9.4365
            39  C8y C    21.2630   -9.4365
            40  N5x N    20.0570  -10.1065
            41  C8x C    20.0570  -11.4466
            42  N5x N    21.2630  -12.1166
            43  N1a N    21.2630   -8.0964
            44  O2b O    31.6486  -11.8486
            45  P1b P    32.9886  -11.8486
            46  O1c O    32.9886  -10.5085
            47  O1c O    34.3287  -11.8486
            48  O2c O    32.9886  -14.9307
            49  C1x C     4.1103  -21.8990
            50  C5x C     4.1103  -23.1721
            51  C2x C     5.2493  -23.8421
            52  C2y C     6.3884  -23.1721
            53  C1z C     6.3884  -21.8990
            54  C1x C     5.2493  -21.2290
            55  C1x C     7.5274  -23.8421
            56  C1x C     8.6665  -23.1721
            57  C1y C     8.6665  -21.8990
            58  C1y C     7.5274  -21.2290
            59  C1y C     9.8055  -21.2290
            60  C1z C     9.8055  -19.8889
            61  C1x C     8.6665  -19.2189
            62  C1x C     7.5274  -19.8889
            63  C1x C    12.0836  -21.2290
            64  C1x C    12.0836  -19.8889
            65  C1y C    10.9446  -19.2189
            66  O5x O     2.9712  -23.8421
            67  C1a C     6.3884  -20.5590
            68  C1a C     9.8055  -18.5489
            69  C1c C    10.9446  -17.9458
            70  C1b C    12.0836  -17.2758
            71  C1a C     9.8055  -17.2758
            72  C1b C    13.2227  -17.8788
            73  C2b C    14.2947  -17.2758
            74  C2c C    15.4338  -17.8788
            75  C5a C    16.5728  -17.2758
            76  C1a C    15.4338  -19.2189
            77  O5a O    16.5728  -15.9358
BOND        83
            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   49  50 1
            52   50  51 1
            53   51  52 2
            54   52  53 1
            55   53  54 1
            56   49  54 1
            57   52  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1
            61   53  58 1
            62   57  59 1
            63   59  60 1
            64   60  61 1
            65   61  62 1
            66   58  62 1
            67   59  63 1
            68   63  64 1
            69   64  65 1
            70   60  65 1
            71   50  66 2
            72   53  67 1 #Up
            73   60  68 1 #Up
            74   65  69 1
            75   69  70 1
            76   69  71 1 #Down
            77   70  72 1
            78   72  73 1
            79   73  74 2
            80   74  75 1
            81   74  76 1
            82   75   1 1
            83   75  77 2

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