KEGG   COMPOUND: C06427Help
Entry
C06427                      Compound                               

Name
(9Z,12Z,15Z)-Octadecatrienoic acid;
alpha-Linolenic acid;
9,12,15-Octadecatrienoic acid;
Linolenate;
alpha-Linolenate
Formula
C18H30O2
Exact mass
278.2246
Mol weight
278.4296
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00592  alpha-Linolenic acid metabolism
map01040  Biosynthesis of unsaturated fatty acids
map01060  Biosynthesis of plant secondary metabolites
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00113  Jasmonic acid biosynthesis
Enzyme
1.13.11.12      1.13.11.61      1.13.11.77      1.14.19.-       
3.1.1.4         3.1.1.32        3.1.2.2
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Fatty acids
   Unsaturated fatty acids
    C06427  alpha-Linolenic acid (18:3;9,12,15)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Polyunsaturated fatty acids
     C06427  (9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid
Major components of natural products [BR:br08323]
 Medicinal herbs
  Flaxseed
   C06427  (9Z,12Z,15Z)-Octadecatrienoic acid
BRITE hierarchy
Other DBs
CAS: 463-40-1
PubChem: 8662
ChEBI: 27432
ChEMBL: CHEMBL8739
LIPIDMAPS: LMFA01030152 LMFA01030153
LipidBank: DFA0191
KNApSAcK: C00007247
PDB-CCD: LNL[PDBj]
3DMET: B02022
NIKKAJI: J5.773H
KCF data Show

ATOM        20
            1   C1b C    22.9537  -16.1663
            2   C1b C    24.1671  -16.8641
            3   C1b C    21.7467  -16.8705
            4   C2b C    25.3869  -16.1599
            5   C1b C    20.5331  -16.1725
            6   C2b C    26.7826  -16.1599
            7   C1b C    19.3197  -16.8767
            8   C1b C    27.9898  -16.8641
            9   C1b C    18.1001  -16.1725
            10  C2b C    29.2032  -16.1599
            11  C1b C    16.8804  -16.8767
            12  C2b C    30.5990  -16.1599
            13  C6a C    15.6732  -16.1789
            14  C1b C    31.8124  -16.8641
            15  O6a O    14.4598  -16.8830
            16  O6a O    15.6670  -14.7830
            17  C2b C    33.0260  -16.1725
            18  C2b C    34.4217  -16.1725
            19  C1b C    35.6351  -16.8705
            20  C1a C    36.8423  -16.1725
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 2
            18   18  19 1
            19   19  20 1

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