KEGG   COMPOUND: C16321Help
Entry
C16321                      Compound                               

Name
9(S)-HPOT;
(10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid;
9(S)-HpOTrE;
(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoate
Formula
C18H30O4
Exact mass
310.2144
Mol weight
310.4284
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00592  alpha-Linolenic acid metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
1.13.11.12      4.2.1.92        4.2.1.121
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C16321  (10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid
BRITE hierarchy
Other DBs
CAS: 111004-08-1
PubChem: 47205629
ChEBI: 60961 60962
LipidBank: DFA8050
NIKKAJI: J466.508B
KCF data Show

ATOM        22
            1   C1b C    22.5081  -17.7550
            2   C1b C    23.6969  -18.4543
            3   C1b C    21.3193  -18.4543
            4   C1c C    24.9557  -17.7550
            5   C1b C    20.0606  -17.7550
            6   C1b C    18.8718  -18.4543
            7   C1b C    17.6830  -17.7550
            8   C1b C    16.4243  -18.4543
            9   C6a C    15.2355  -17.7550
            10  O6a O    14.0467  -18.4543
            11  O6a O    15.2355  -16.3564
            12  C2b C    26.2144  -18.4543
            13  C2b C    27.4032  -17.7550
            14  C2b C    28.5920  -18.4543
            15  C2b C    29.9906  -18.4543
            16  C1b C    31.1793  -17.7550
            17  C2b C    32.4381  -18.4543
            18  C2b C    33.8366  -18.4543
            19  C1b C    35.0953  -17.7550
            20  C1a C    36.2841  -18.4543
            21  O2a O    24.9563  -16.3804
            22  O1a O    23.7695  -15.6942
BOND        21
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    9  11 2
            11    4  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20    4  21 1 #Down
            21   21  22 1

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