KEGG   COMPOUND: C21923
Entry
C21923                      Compound                               
Name
9-Hydroxy-12-oxo-10(E),15(Z)-octadecadienoic acid
Formula
C18H30O4
Exact mass
310.2144
Mol weight
310.43
Structure
Reaction
R12140 R12141
Pathway
map00592  alpha-Linolenic acid metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.1.-
Other DBs
PubChem: 376218956
ChEBI: 182960
LinkDB
KCF data

ATOM        22
            1   C1b C    22.5329  -23.7226
            2   C1b C    23.7224  -24.4223
            3   C1b C    21.3435  -24.4223
            4   C1c C    24.9818  -23.7226
            5   C1b C    20.0840  -23.7226
            6   C1b C    18.8945  -24.4223
            7   C1b C    17.7051  -23.7226
            8   C1b C    16.4456  -24.4223
            9   C6a C    15.2562  -23.7226
            10  O6a O    14.0667  -24.4223
            11  O6a O    15.2562  -22.3233
            12  O1a O    24.9818  -22.3233
            13  C2b C    26.1943  -24.4226
            14  C2b C    27.4067  -23.7226
            15  C5a C    28.6191  -24.4226
            16  O5a O    28.6191  -25.8226
            17  C1b C    29.8316  -23.7226
            18  C1b C    31.0440  -24.4226
            19  C2b C    32.2564  -23.7226
            20  C2b C    33.6564  -23.7226
            21  C1b C    34.8689  -24.4226
            22  C1a C    36.0813  -23.7226
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 1
            12    4  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 1

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