KEGG   COMPOUND: C12359
Entry
C12359                      Compound                               

Name
3,5,7,11,13,15-Heptaoxo-9-hydroxy-octadecanoyl-[acp]
Formula
C18H23O8SR
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA07 Fatty esters
   FA0706 Fatty acyl ACPs
    C12359  3,5,7,11,13,15-Heptaoxo-9-hydroxy-octadecanoyl-[acp]
Other DBs
PubChem: 582749
ChEBI: 31093
LIPIDMAPS: LMFA07060032
KCF data

ATOM        28
            1   S2a S    34.0797  -17.6358
            2   C1b C    31.6690  -17.6453
            3   C1b C    14.7037  -17.6859
            4   C5a C    15.9186  -16.9837
            5   O5a O    15.9145  -15.5790
            6   C1b C    17.1237  -17.6766
            7   C5a C    18.3386  -16.9741
            8   C1b C    19.5533  -17.6670
            9   C5a C    20.7680  -16.9648
            10  C1b C    21.9734  -17.6670
            11  C1c C    23.1787  -16.9552
            12  C1b C    24.3838  -17.6574
            13  O5a O    18.3345  -15.5697
            14  O5a O    20.7639  -15.5601
            15  O1a O    23.1746  -15.5601
            16  C5a C    25.6081  -16.9552
            17  C1b C    26.8134  -17.6481
            18  C5a C    28.0281  -16.9456
            19  C1b C    29.2335  -17.6481
            20  C5a C    30.4481  -16.9363
            21  O5a O    25.6040  -15.5506
            22  O5a O    28.0240  -15.5412
            23  O5a O    30.4440  -15.5412
            24  C5a C    32.8682  -16.9363
            25  O5a O    32.9311  -15.5317
            26  C1b C    13.4952  -16.9891
            27  C1a C    12.2875  -17.6873
            28  R   R    35.4797  -17.6358
BOND        27
            1     8   9 1
            2    12  16 1
            3     4   6 1
            4    16  17 1
            5     9  10 1
            6    17  18 1
            7    18  19 1
            8    10  11 1
            9    19  20 1
            10   20   2 1
            11    6   7 1
            12   16  21 2
            13   11  12 1
            14   18  22 2
            15    4   5 2
            16   20  23 2
            17    7  13 2
            18    2  24 1
            19   24   1 1
            20    7   8 1
            21   24  25 2
            22    9  14 2
            23    3   4 1
            24    3  26 1
            25   11  15 1
            26   26  27 1
            27    1  28 1

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