KEGG   COMPOUND: C16316
Entry
C16316                      Compound                               

Name
13(S)-HOT;
(9Z,11E,15Z)-(13S)-Hydroxyoctadeca-9,11,15-trienoate;
(9Z,11E,15Z)-(13S)-13-Hydroxyoctadeca-9,11,15-trienoic acid;
(9Z,11E,13S,15Z)-13-Hydroxyoctadeca-9,11,15-trienoic acid;
13(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
    C16316  (9Z,11E,14Z)-(13S)-13-Hydroxyoctadeca-9,11,14-trienoic acid
Other DBs
PubChem: 47205624
ChEBI: 84441
PDB-CCD: T24[PDBj]
NIKKAJI: J2.801.743J
KCF data

ATOM        21
            1   C1c C    43.4302  -22.4174
            2   C2b C    43.4302  -23.8133
            3   C1b C    44.6397  -21.7162
            4   O1a O    42.2144  -21.7162
            5   C2b C    42.2144  -24.5146
            6   C2b C    44.6397  -20.3136
            7   C2b C    42.2144  -25.9107
            8   C2b C    41.0050  -26.6118
            9   C1b C    39.7955  -25.9107
            10  C1b C    38.5795  -26.6118
            11  C1b C    37.3702  -25.9107
            12  C1b C    36.1606  -26.6118
            13  C1b C    34.9448  -25.9107
            14  C1b C    33.7353  -26.6118
            15  C1b C    32.5258  -25.9107
            16  C6a C    31.3099  -26.6118
            17  O6a O    30.1004  -25.9107
            18  O6a O    31.3099  -28.0145
            19  C2b C    45.8725  -19.6001
            20  C1b C    47.0686  -20.2892
            21  C1a C    48.2542  -19.6030
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   16  18 2
            18    6  19 2
            19   19  20 1
            20   20  21 1

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