KEGG   COMPOUND: C04672Help
Entry
C04672                      Compound                               

Name
(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid;
(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate;
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate;
12,13(S)-EOT;
12,13(S)-EOTrE
Formula
C18H28O3
Exact mass
292.2038
Mol weight
292.4131
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00592  alpha-Linolenic acid metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00113  Jasmonic acid biosynthesis
Enzyme
4.2.1.92        5.3.99.6
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0107 Epoxy fatty acids
    C04672  (9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid
BRITE hierarchy
Other DBs
PubChem: 7253
ChEBI: 15653 36438
LIPIDMAPS: LMFA02000053
3DMET: B01772
NIKKAJI: J1.145.932C
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1b C    34.6361  -23.0890
            2   C1b C    35.8255  -23.7887
            3   C1b C    33.4466  -23.7887
            4   C2b C    37.0850  -23.0890
            5   C1b C    32.1872  -23.0890
            6   C1b C    30.9977  -23.7887
            7   C1b C    29.8082  -23.0890
            8   C1b C    28.5488  -23.7887
            9   C6a C    27.3593  -23.0890
            10  O6a O    26.1698  -23.7887
            11  O6a O    27.3593  -21.6896
            12  C2b C    38.4844  -23.0890
            13  C2b C    39.6738  -23.7887
            14  C2y C    40.9333  -23.0890
            15  C1y C    42.3327  -23.0890
            16  C1b C    43.5921  -23.7887
            17  C2b C    44.7816  -23.0890
            18  C2b C    46.1809  -23.0890
            19  C1b C    47.3704  -23.7887
            20  C1a C    48.5599  -23.0890
            21  O2x O    41.6327  -21.8765
BOND        21
            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 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   15  21 1 #Up
            21   14  21 1

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