KEGG   COMPOUND: C01595
Entry
C01595                      Compound                               
Name
Linoleate;
Linoleic acid;
(9Z,12Z)-Octadecadienoic acid;
9-cis,12-cis-Octadecadienoate;
9-cis,12-cis-Octadecadienoic acid
Formula
C18H32O2
Exact mass
280.2402
Mol weight
280.4455
Structure
Reaction
Pathway
map00591  Linoleic acid metabolism
map01040  Biosynthesis of unsaturated fatty acids
map01060  Biosynthesis of plant secondary metabolites
map01100  Metabolic pathways
Enzyme
1.13.11.12      1.13.11.33      1.13.11.45      1.13.11.58      
1.13.11.60      1.13.11.62      1.13.11.77      1.14.14.1       
1.14.14.-       1.14.19.3       1.14.19.39      3.1.1.4         
3.1.2.2         5.2.1.5
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Fatty acids
   Unsaturated fatty acids
    C01595  Linoleic acid (18:2;9,12)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Polyunsaturated fatty acids
     C01595  (9Z,12Z)-Octadeca-9,12-dienoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Unsaturated fatty acids
    C01595  Linoleic acid
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Linoleate
    C01595  Linoleate
Other DBs
CAS: 60-33-3
PubChem: 4750
ChEBI: 17351 30245
LIPIDMAPS: LMFA01030120
KNApSAcK: C00001224
PDB-CCD: EIC[PDBj]
3DMET: B00328
NIKKAJI: J4.801A
KCF data

ATOM        20
            1   C1b C    22.9712  -16.1736
            2   C1b C    24.1843  -16.8679
            3   C1b C    21.7516  -16.8741
            4   C2b C    25.4041  -16.1674
            5   C1b C    20.5383  -16.1799
            6   C2b C    26.8050  -16.1674
            7   C1b C    19.3249  -16.8804
            8   C1b C    28.0370  -16.8303
            9   C1b C    18.1117  -16.1861
            10  C2b C    29.2502  -16.1299
            11  C1b C    16.8922  -16.8866
            12  C2b C    30.6513  -16.1299
            13  C6a C    15.6788  -16.1925
            14  C1b C    31.8833  -16.7990
            15  O6a O    14.4593  -16.8929
            16  O6a O    15.6725  -14.7977
            17  C1b C    33.0715  -16.0673
            18  C1b C    34.3037  -16.7241
            19  C1b C    35.4919  -15.9922
            20  C1a C    36.7239  -16.6490
BOND        19
            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

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