KEGG   COMPOUND: C04594
Entry
C04594                      Compound                               
Name
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid;
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoate;
13(S)-EOD
Formula
C18H30O3
Exact mass
294.2195
Mol weight
294.429
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0107 Epoxy fatty acids
    C04594  (9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C04594  (9Z)-(13S)-12,13-Epoxyoctadeca-9,11-dienoic acid
Other DBs
PubChem: 7192
ChEBI: 15654
LIPIDMAPS: LMFA02000281
3DMET: B00736
NIKKAJI: J2.752.160F
LinkDB
KCF data

ATOM        21
            1   C2y C    13.2074  -15.4885
            2   C1y C    14.4204  -16.1815
            3   O2x O    14.4204  -14.7826
            4   C2b C    12.0011  -16.1815
            5   C1b C    15.7231  -15.5078
            6   C2b C    12.0011  -17.5806
            7   C1b C    16.8974  -16.2585
            8   C2b C    13.2074  -18.2800
            9   C1b C    18.1359  -15.6169
            10  C1b C    14.4204  -17.5806
            11  C1b C    19.3102  -16.3741
            12  C1b C    15.6267  -18.2800
            13  C1a C    20.5489  -15.7259
            14  C1b C    16.8332  -17.5806
            15  C1b C    18.0460  -18.2800
            16  C1b C    19.2525  -17.5806
            17  C1b C    20.4590  -18.2800
            18  C1b C    21.6718  -17.5806
            19  C6a C    22.8783  -18.2800
            20  O6a O    22.8783  -19.6726
            21  O6a O    24.0911  -17.5806
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21    2   3 1 #Up

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