KEGG   COMPOUND: C14782Help
Entry
C14782                      Compound                               

Name
11,12,15-THETA;
11,12,15-Trihydroxyicosatrienoic acid;
(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyeicosa-5,8,12-trienoic acid;
(5Z,8Z,13E)-(15S)-11,12,15-Trihydroxyicosa-5,8,12-trienoic acid
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.481
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Arachidonic acid metabolism
Metabolic pathways
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0305 Hydroxy/hydroperoxyeicosatrienoic acids
    C14782  11,12,15-THETA
BRITE hierarchy
Other DBs
PubChem: 
LIPIDMAPS: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C1c C    28.5887  -16.6780
            2   C2b C    27.1821  -16.6780
            3   C1b C    29.8126  -17.3812
            4   O1a O    28.9545  -15.3344
            5   C2b C    25.9724  -17.3812
            6   C1b C    31.0154  -16.6780
            7   C1c C    24.7555  -16.6780
            8   C1b C    32.2321  -17.3812
            9   C1c C    23.3558  -16.6780
            10  C1b C    33.4491  -16.6780
            11  C1b C    22.1389  -17.3812
            12  C1a C    34.6588  -17.3812
            13  C2b C    20.9292  -16.6780
            14  C2b C    19.5226  -16.6780
            15  C1b C    18.3056  -17.3812
            16  C2b C    17.0959  -16.6780
            17  C2b C    15.6893  -16.6780
            18  C1b C    14.4936  -17.3812
            19  C1b C    13.2626  -16.6780
            20  C1b C    12.0459  -17.3812
            21  C6a C    10.8362  -16.6780
            22  O6a O     9.6192  -17.3812
            23  O6a O    10.8362  -15.2784
            24  O1a O    25.1239  -15.3029
            25  O1a O    22.9902  -15.3154
BOND        24
            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     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 2
            23    7  24 1
            24    9  25 1

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