KEGG   COMPOUND: C04849
Entry
C04849                      Compound                               

Name
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid;
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoate;
Hepoxilin A3
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0107 Epoxy fatty acids
    C04849  (5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid
  FA03 Eicosanoids
   FA0309 Hepoxilins
    C04849  Hepoxilin A3
Other DBs
PubChem: 7406
ChEBI: 15631
LIPIDMAPS: LMFA03080012
LipidBank: XPR5001
3DMET: B04968
NIKKAJI: J2.755.995F
KCF data

ATOM        24
            1   C1y C    22.0281  -14.1382
            2   C1y C    20.8165  -13.4336
            3   O2x O    20.8108  -14.8255
            4   C2b C    22.0338  -15.5477
            5   C1b C    20.8108  -12.0416
            6   C2b C    23.2395  -16.2526
            7   C2b C    19.6051  -11.3427
            8   C1c C    23.2395  -17.6503
            9   C2b C    18.3936  -12.0416
            10  C1b C    24.4625  -18.3492
            11  O1a O    22.0338  -18.3435
            12  C1b C    18.3936  -13.4452
            13  C2b C    24.4625  -19.7471
            14  C1b C    17.1705  -14.1441
            15  C2b C    25.6682  -20.4519
            16  C1b C    17.1705  -15.5477
            17  C1b C    26.8854  -19.7471
            18  C1b C    15.9649  -16.2526
            19  C1b C    28.1027  -20.4519
            20  C1a C    15.9649  -17.6503
            21  C1b C    29.3141  -19.7471
            22  C6a C    30.5257  -20.4519
            23  O6a O    30.5257  -21.8555
            24  O6a O    31.7313  -19.7471
BOND        24
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     7   9 2
            9     8  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   12  14 1
            14   13  15 2
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24    2   3 1

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