KEGG   COMPOUND: C21924
Entry
C21924                      Compound                               
Name
9-Hydroxy-12-oxo-15(Z)-octadecenoic acid
Formula
C18H32O4
Exact mass
312.2301
Mol weight
312.4443
Structure
Reaction
R12141
Pathway
map00592  alpha-Linolenic acid metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.1.-
Other DBs
PubChem: 376218957
ChEBI: 182622
LinkDB
KCF data

ATOM        22
            1   C1b C    16.1141  -15.8338
            2   C1b C    17.3051  -16.5344
            3   C1b C    14.9230  -16.5344
            4   C1c C    18.5662  -15.8338
            5   C1b C    13.6619  -15.8338
            6   C1b C    12.4709  -16.5344
            7   C1b C    11.2798  -15.8338
            8   C1b C    10.0187  -16.5344
            9   C6a C     8.8277  -15.8338
            10  O6a O     7.6367  -16.5344
            11  O6a O     8.8277  -14.4326
            12  O1a O    18.5662  -14.4326
            13  C1b C    19.7573  -16.5344
            14  C1b C    21.0184  -15.8338
            15  C5a C    22.2094  -16.5344
            16  O5a O    22.2094  -17.9357
            17  C1b C    23.4004  -15.8338
            18  C1b C    24.5915  -16.5344
            19  C2b C    25.8526  -15.8338
            20  C2b C    27.2538  -15.8338
            21  C1b C    28.4448  -16.5344
            22  C1a C    29.6359  -15.8338
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 1
            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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