KEGG   COMPOUND: C16326
Entry
C16326                      Compound                               

Name
9(S)-HOT;
(9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid;
9(S)-HOTrE
Formula
C18H30O3
Exact mass
294.2195
Mol weight
294.429
Structure
Pathway
map00592  alpha-Linolenic acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C16326  (9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid
Other DBs
PubChem: 47205634
ChEBI: 80447
KNApSAcK: C00048303
NIKKAJI: J761.732A
KCF data

ATOM        21
            1   C1b C    23.8362  -20.9035
            2   C1b C    25.0250  -21.6028
            3   C1b C    22.6475  -21.6028
            4   C1c C    26.2837  -20.9035
            5   C1b C    21.3889  -20.9035
            6   C1b C    20.2001  -21.6028
            7   C1b C    19.0114  -20.9035
            8   C1b C    17.7528  -21.6028
            9   C6a C    16.5641  -20.9035
            10  O6a O    15.3754  -21.6028
            11  O6a O    16.5641  -19.5050
            12  O1a O    26.3540  -19.5750
            13  C2b C    27.5423  -21.6028
            14  C2b C    28.7311  -20.9035
            15  C2b C    29.9197  -21.6028
            16  C2b C    31.3182  -21.6028
            17  C1b C    32.5069  -20.9035
            18  C2b C    33.7656  -21.6028
            19  C2b C    35.1641  -21.6028
            20  C1b C    36.4228  -20.9035
            21  C1a C    37.6115  -21.6028
BOND        20
            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 #Down
            12    4  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1

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