KEGG   COMPOUND: C12365
Entry
C12365                      Compound                               
Name
9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-docosanoyl-[acp]
Formula
C22H27O10SR
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0706 Fatty acyl ACPs
    C12365  9-Hydroxy-3,5,7,11,13,15,17,19-nonaoxo-docosanoyl-[acp]
Other DBs
PubChem: 582755
ChEBI: 31147
KCF data

ATOM        34
            1   S2a S    36.5182  -17.6398
            2   C1b C    31.6709  -17.6398
            3   C1b C    12.2947  -17.6898
            4   C5a C    13.5088  -16.9880
            5   C1b C    14.7136  -17.6803
            6   C5a C    15.9277  -16.9784
            7   O5a O    15.9936  -15.5744
            8   O5a O    13.5047  -15.5840
            9   C1b C    17.1325  -17.6710
            10  C5a C    18.3466  -16.9689
            11  C1b C    19.5609  -17.6710
            12  C5a C    20.7751  -16.9595
            13  C1b C    21.9798  -17.6614
            14  C5a C    23.1844  -16.9595
            15  C1b C    24.4081  -17.6518
            16  O5a O    18.3425  -15.5651
            17  O5a O    20.7710  -15.5651
            18  O5a O    23.1803  -15.5555
            19  C1c C    25.6128  -16.9500
            20  C1b C    26.8269  -17.6518
            21  C5a C    28.0317  -16.9404
            22  C1b C    29.2458  -17.6425
            23  C5a C    30.4602  -16.9404
            24  O1a O    25.6087  -15.5460
            25  O5a O    28.0276  -15.5460
            26  O5a O    30.4561  -15.5366
            27  C5a C    32.8695  -16.9311
            28  C1b C    34.0836  -17.6329
            29  C5a C    35.2884  -16.9311
            30  O5a O    32.8745  -15.5271
            31  O5a O    35.2897  -15.5271
            32  C1b C    11.0868  -16.9934
            33  C1a C     9.8795  -17.6912
            34  R   R    37.9182  -17.6398
BOND        33
            1    15  19 1
            2    10  11 1
            3    19  20 1
            4     6   7 2
            5    20  21 1
            6    11  12 1
            7    21  22 1
            8     4   5 1
            9    22  23 1
            10   23   2 1
            11   12  13 1
            12   19  24 1
            13    4   8 2
            14   21  25 2
            15   13  14 1
            16   23  26 2
            17    3   4 1
            18    2  27 1
            19   14  15 1
            20   27  28 1
            21    6   9 1
            22   28  29 1
            23   29   1 1
            24   10  16 2
            25   27  30 2
            26    5   6 1
            27   29  31 2
            28   12  17 2
            29    9  10 1
            30    3  32 1
            31   14  18 2
            32   32  33 1
            33    1  34 1

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