KEGG   COMPOUND: C07338Help
Entry
C07338                      Compound                               

Name
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid;
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate
Formula
C18H32O4
Exact mass
312.2301
Mol weight
312.4443
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Linoleic acid metabolism
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0104 Hydroperoxy fatty acids
    C07338  (9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1c C    28.9301  -20.6194
            2   C2b C    27.7202  -19.9148
            3   C2b C    30.1399  -19.9148
            4   O2a O    28.9301  -22.0162
            5   C2b C    26.3234  -19.9148
            6   C2b C    31.5368  -19.9148
            7   O1a O    27.7202  -22.7148
            8   C1b C    25.1074  -20.6194
            9   C1b C    32.7464  -20.6194
            10  C1b C    23.8914  -19.9273
            11  C1b C    33.9563  -19.9148
            12  C1b C    22.6754  -20.6257
            13  C1b C    35.1661  -20.6194
            14  C1b C    21.4656  -19.9334
            15  C1b C    36.3758  -19.9148
            16  C1b C    20.2496  -20.6319
            17  C1a C    37.5856  -20.6132
            18  C1b C    19.0336  -19.9398
            19  C1b C    17.8176  -20.6382
            20  C6a C    16.6014  -19.9459
            21  O6a O    15.3854  -20.6443
            22  O6a O    16.6014  -18.5366
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 2

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