KEGG   COMPOUND: C20186
Entry
C20186                      Compound                               

Name
5S,8R-DiHODE;
(5S,8R)-DiHODE;
(5S,8R,9Z,12Z)-5,8-Dihydroxyoctadeca-9,12-dienoate
Formula
C18H32O4
Exact mass
312.2301
Mol weight
312.4443
Structure
Reaction
Pathway
map00591  Linoleic acid metabolism
Enzyme
Other DBs
PubChem: 163311929
KCF data

ATOM        22
            1   C1b C    16.0141  -15.4480
            2   C1c C    17.2259  -16.1415
            3   C1b C    14.7958  -16.1477
            4   C2b C    18.4443  -15.4418
            5   C1c C    13.5838  -15.4543
            6   C2b C    19.8437  -15.4418
            7   C1b C    12.3717  -16.1540
            8   C1b C    21.0744  -16.1040
            9   C1b C    11.1599  -15.4605
            10  C2b C    22.2862  -15.4044
            11  C1b C     9.9417  -16.1602
            12  C2b C    23.6858  -15.4044
            13  C6a C     8.7296  -15.4669
            14  C1b C    24.9165  -16.0727
            15  O6a O     7.5114  -16.1665
            16  O6a O     8.7233  -14.0736
            17  C1b C    26.1034  -15.3418
            18  C1b C    27.3342  -15.9979
            19  C1b C    28.5211  -15.2668
            20  C1a C    29.7518  -15.9229
            21  O1a O    17.2269  -17.5417
            22  O1a O    13.5811  -14.0700
BOND        21
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    2  21 1 #Down
            21    5  22 1 #Down

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