KEGG   COMPOUND: C08316Help
Entry
C08316                      Compound                               

Name
Erucic acid;
(13Z)-Docosenoic acid;
cis-13-Docosenoic acid
Formula
C22H42O2
Exact mass
338.3185
Mol weight
338.5677
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of unsaturated fatty acids
Enzyme
3.1.2.-
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Fatty acids
   Unsaturated fatty acids
    C08316  Erucic acid (22:1;13)
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0103 Unsaturated fatty acids
    Monounsaturated fatty acids
     C08316  (Z)-Docos-13-enoic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Unsaturated fatty acids
    C08316  Erucic acid
BRITE hierarchy
Other DBs
CAS: 
112-86-7
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1b C    22.8019  -21.6539
            2   C1b C    24.0209  -20.9466
            3   C1b C    21.5903  -20.9466
            4   C1b C    25.2326  -21.6539
            5   C1b C    20.3786  -21.6539
            6   C1b C    26.4440  -20.9466
            7   C1b C    19.1672  -20.9466
            8   C1b C    27.6556  -21.6539
            9   C1b C    17.9479  -21.6539
            10  C2b C    28.8747  -20.9466
            11  C1b C    16.7365  -20.9466
            12  C2b C    30.1616  -20.9392
            13  C1b C    15.5172  -21.6539
            14  C1b C    31.3807  -21.6465
            15  C6a C    14.2982  -20.9466
            16  C1b C    32.5997  -20.9392
            17  O6a O    13.0865  -21.6539
            18  O6a O    14.2982  -19.5394
            19  C1b C    33.8114  -21.6465
            20  C1b C    35.0230  -20.9392
            21  C1b C    36.2421  -21.6465
            22  C1b C    37.4611  -20.9392
            23  C1b C    38.6651  -21.6465
            24  C1a C    39.8768  -20.9542
BOND        23
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            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   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1

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