KEGG   COMPOUND: C23027
Entry
C23027                      Compound                               
Name
Ultra-long-chain omega-hydroxy fatty acyl-CoA;
omega-OH ULCFA-CoA;
omega-OH ULC acyl-CoA
Formula
C35H62N7O18P3S(C2H4)n
Structure
Pathway
map04382  Cornified envelope formation
Network
nt06545  Cornified envelope formation
Other DBs
PubChem: 513131678
LinkDB
KCF data

ATOM        66
            1   C1b C    26.6224  -16.0300
            2   C5a C    27.8349  -15.3300
            3   S2a S    29.0473  -16.0300
            4   C1b C    30.2597  -15.3300
            5   C1b C    31.4722  -16.0300
            6   N1b N    32.6846  -15.3300
            7   C5a C    33.8970  -16.0300
            8   C1b C    35.1095  -15.3300
            9   C1b C    36.3219  -16.0300
            10  N1b N    37.5344  -15.3300
            11  C5a C    38.7468  -16.0300
            12  C1c C    39.9592  -15.3300
            13  C1d C    41.1717  -16.0300
            14  C1b C    42.3841  -15.3300
            15  O2b O    43.5965  -16.0300
            16  O5a O    27.8349  -13.9302
            17  O5a O    33.8970  -17.4299
            18  O5a O    38.7468  -17.4296
            19  O1a O    39.9592  -13.9300
            20  C1a C    41.1717  -14.6300
            21  C1a C    41.1717  -17.4300
            22  P1b P    44.9965  -16.0300
            23  O1c O    46.3965  -16.0300
            24  O1c O    44.9965  -17.4300
            25  C1y C    38.5000  -11.0600
            26  C1y C    39.9000  -11.0600
            27  C1y C    40.3326   -9.7285
            28  O2x O    39.2000   -8.9056
            29  C1y C    38.0674   -9.7285
            30  C1b C    41.6522   -9.2997
            31  O1a O    37.6771  -12.1926
            32  O2b O    40.7229  -12.1926
            33  P1b P    42.1229  -12.1926
            34  O1c O    42.1229  -10.7926
            35  O1c O    43.5229  -12.1926
            36  O1c O    42.1229  -13.5926
            37  C8y C    33.9500   -7.9100
            38  C8y C    33.9500   -9.3100
            39  N4y N    36.3749   -9.3100
            40  C8x C    36.3749   -7.9100
            41  N5x N    35.1624   -7.2100
            42  C8y C    32.7376   -7.2100
            43  N5x N    31.5251   -7.9100
            44  C8x C    31.5251   -9.3100
            45  N5x N    32.7376  -10.0100
            46  N1a N    32.7376   -5.8102
            47  O2b O    43.6345   -9.7320
            48  P1b P    45.0345   -9.7320
            49  O1c O    45.0345   -8.3320
            50  O1c O    46.4345   -9.7320
            51  O2c O    45.0345  -12.9520
            52  C1b C    25.3876  -15.3300
            53  C1b C    24.1751  -16.0300
            54  C1b C    22.9627  -15.3300
            55  C1b C    21.7503  -16.0300
            56  C1b C    20.5378  -15.3300
            57  C1b C    19.3254  -16.0300
            58  C1b C    18.1130  -15.3300
            59  C1b C    16.9005  -16.0300
            60  C1b C    15.6881  -15.3300
            61  C1b C    14.4756  -16.0300
            62  C1b C    13.2632  -15.3300
            63  C1b C    12.0508  -16.0300
            64  C1b C    10.8383  -15.3300
            65  C1b C     9.6259  -16.0300
            66  O1a O     8.4393  -15.3445
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   65  66 1
BRACKET     1    23.5900  -16.9400   23.5900  -14.7700
            1    25.8300  -14.7700   25.8300  -16.9400
            1  n
 ORIGINAL  1   52  53
 REPEAT    1

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