KEGG   COMPOUND: C04785Help
Entry
C04785                      Compound                               

Name
13(S)-HPOT;
(9Z,11E,15Z)-(13S)-Hydroperoxyoctadeca-9,11,15-trienoate;
(9Z,11E,15Z)-(13S)-13-Hydroperoxyoctadeca-9,11,15-trienoic acid;
13(S)-HpOTrE;
13-HPOT
Formula
C18H30O4
Exact mass
310.2144
Mol weight
310.4284
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00592  alpha-Linolenic acid metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00113  Jasmonic acid biosynthesis
Enzyme
1.13.11.12      4.2.1.92
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0104 Hydroperoxy fatty acids
    C04785  (9Z,11E,14Z)-(13S)-13-Hydroperoxyoctadeca-9,11,14-trienoic acid
BRITE hierarchy
Other DBs
PubChem: 7348
ChEBI: 48905
LIPIDMAPS: LMFA02000114
KNApSAcK: C00000364
3DMET: B01788
NIKKAJI: J2.753.619K
KCF data Show

ATOM        22
            1   C1c C    41.6510  -21.3885
            2   C2b C    41.6510  -22.7857
            3   C1b C    42.8617  -20.6867
            4   O2a O    40.4341  -20.6867
            5   C2b C    40.4341  -23.4877
            6   C2b C    42.8617  -19.2827
            7   C2b C    40.4341  -24.8851
            8   C2b C    39.2235  -25.5869
            9   C1b C    38.0129  -24.8851
            10  C1b C    36.7958  -25.5869
            11  C1b C    35.5853  -24.8851
            12  C1b C    34.3746  -25.5869
            13  C1b C    33.1576  -24.8851
            14  C1b C    31.9470  -25.5869
            15  C1b C    30.7364  -24.8851
            16  C6a C    29.5193  -25.5869
            17  O6a O    28.3088  -24.8851
            18  O6a O    29.5193  -26.9909
            19  C2b C    44.0956  -18.5686
            20  C1b C    45.2929  -19.2583
            21  C1a C    46.4796  -18.5715
            22  O1a O    40.4341  -19.2867
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   16  18 2
            18    6  19 2
            19   19  20 1
            20   20  21 1
            21    4  22 1

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