KEGG   COMPOUND: C04717Help
Entry
C04717                      Compound                               

Name
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid;
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate;
13(S)-HPODE;
13S-Hydroperoxy-9Z,11E-octadecadienoic acid
Formula
C18H32O4
Exact mass
312.2301
Mol weight
312.4443
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Linoleic acid metabolism
Metabolic pathways
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0104 Hydroperoxy fatty acids
    C04717  (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid
BRITE hierarchy
Other DBs
CAS: 
33964-75-9
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   O6a O    11.1427  -16.1381
            2   C6a C    12.3556  -15.4384
            3   C1b C    13.5683  -16.1381
            4   C1b C    14.7811  -15.4384
            5   C1b C    15.9939  -16.1381
            6   C1b C    17.2065  -15.4384
            7   C1b C    18.4193  -16.1381
            8   C1b C    19.6321  -15.4384
            9   C1b C    20.8449  -16.1381
            10  C2b C    22.0576  -15.4384
            11  O6a O    12.3556  -14.0390
            12  C2b C    23.4570  -15.4384
            13  C2b C    24.6698  -16.1381
            14  C2b C    25.8826  -15.4384
            15  C1c C    27.0953  -16.1381
            16  C1b C    28.3081  -15.4384
            17  C1b C    29.5209  -16.1381
            18  C1b C    30.7325  -15.4380
            19  C1b C    31.9457  -16.1379
            20  C1a C    33.1578  -15.4375
            21  O2a O    27.0953  -17.5374
            22  O1a O    28.3081  -18.2371
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    2  11 2
            11   10  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   15  21 1 #Down
            21   21  22 1

» Japanese version

DBGET integrated database retrieval system