KEGG   COMPOUND: C14831
Entry
C14831                      Compound                               
Name
8(R)-HPODE;
(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid;
(8R,9Z,12Z)-8-Hydroperoxyoctadeca-9,12-dienoate
Formula
C18H32O4
Exact mass
312.2301
Mol weight
312.4443
Structure
Reaction
R07061 R07062 R09905
Pathway
map00591  Linoleic acid metabolism
Enzyme
1.13.11.60      5.4.4.5         5.4.4.6
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C14831  (9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid
Other DBs
CAS: 143343-95-7
PubChem: 17395829
ChEBI: 34485
LIPIDMAPS: LMFA02000113
NIKKAJI: J646.349E
LinkDB
KCF data

ATOM        22
            1   C1b C    24.9312  -23.5236
            2   C1c C    26.1443  -24.2179
            3   C1b C    23.7116  -24.2241
            4   C2b C    27.3641  -23.5174
            5   C1b C    22.4983  -23.5299
            6   C2b C    28.7650  -23.5174
            7   C1b C    21.2849  -24.2304
            8   C1b C    29.9970  -24.1803
            9   C1b C    20.0717  -23.5361
            10  C2b C    31.2102  -23.4799
            11  C1b C    18.8522  -24.2366
            12  C2b C    32.6113  -23.4799
            13  C6a C    17.6388  -23.5425
            14  C1b C    33.8433  -24.1490
            15  O6a O    16.4193  -24.2429
            16  O6a O    17.6325  -22.1477
            17  C1b C    35.0315  -23.4173
            18  C1b C    36.2637  -24.0741
            19  C1b C    37.4519  -23.3422
            20  C1a C    38.6839  -23.9990
            21  O2a O    26.1454  -25.6196
            22  O1a O    27.3843  -26.3339
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   21  22 1

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