KEGG   COMPOUND: C14762
Entry
C14762                      Compound                               
Name
13(S)-HODE;
(13S)-Hydroxyoctadecadienoic acid;
(9Z,11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid
Formula
C18H32O3
Exact mass
296.2351
Mol weight
296.44
Structure
Reaction
R07058
Pathway
map00591  Linoleic acid metabolism
map03320  PPAR signaling pathway
Enzyme
1.1.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C14762  (9Z, 11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid
Other DBs
PubChem: 17395760
ChEBI: 34154
LIPIDMAPS: LMFA02000228
PDB-CCD: 243[PDBj]
NIKKAJI: J425.680H
LinkDB
KCF data

ATOM        21
            1   C1b C    19.4712  -16.5236
            2   C1b C    20.6843  -17.2179
            3   C1b C    18.2516  -17.2241
            4   C2b C    21.9041  -16.5174
            5   C1b C    17.0383  -16.5299
            6   C2b C    23.3050  -16.5174
            7   C1b C    15.8249  -17.2304
            8   C2b C    24.5370  -17.1803
            9   C1b C    14.6117  -16.5361
            10  C2b C    25.7502  -16.4799
            11  C1b C    13.3922  -17.2366
            12  C1c C    27.1513  -16.4799
            13  C6a C    12.1788  -16.5425
            14  C1b C    28.3833  -17.1490
            15  O6a O    10.9593  -17.2429
            16  O6a O    12.1725  -15.1477
            17  C1b C    29.5715  -16.4173
            18  C1b C    30.8037  -17.0741
            19  C1b C    31.9919  -16.3422
            20  C1a C    33.2239  -16.9990
            21  O1a O    27.5036  -14.2528
BOND        20
            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 2
            10    9  11 1
            11   10  12 1
            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   12  21 1 #Up

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