KEGG   COMPOUND: C07289Help
Entry
C07289                      Compound                               
Name
Crepenynate;
(9Z)-Octadec-9-en-12-ynoate;
(Z)-9-Octadecen-12-ynoic acid;
Crepenynic acid
Formula
C18H30O2
Exact mass
278.2246
Mol weight
278.4296
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Source: Crepis foetida [TAX:268017]
Reaction
Pathway
Linoleic acid metabolism
Biosynthesis of plant secondary metabolites
Enzyme
Other DBs
CAS: 
2277-31-8
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        20
            1   C1b C    29.0079  -21.6981
            2   C2b C    27.7892  -21.0010
            3   C2b C    26.3821  -21.0069
            4   C1b C    25.1707  -21.7098
            5   C1b C    23.9521  -21.0186
            6   C1b C    22.7407  -21.7156
            7   C1b C    21.5221  -21.0244
            8   C1b C    20.3106  -21.7215
            9   C1b C    19.0922  -21.0303
            10  C1b C    17.8807  -21.7273
            11  C6a C    16.6621  -21.0361
            12  O6a O    15.4507  -21.7332
            13  O6a O    16.6563  -19.6291
            14  C3b C    30.2257  -20.9996
            15  C3b C    31.4309  -20.2875
            16  C1b C    32.6409  -19.5870
            17  C1b C    33.8502  -20.2765
            18  C1b C    35.0530  -19.5688
            19  C1b C    36.2695  -20.2655
            20  C1a C    37.4725  -19.5578
BOND        19
            1     7   8 1
            2     8   9 1
            3     9  10 1
            4    10  11 1
            5    11  12 1
            6    11  13 2
            7     1  14 1
            8     1   2 1
            9    14  15 3
            10    2   3 2
            11   15  16 1
            12    3   4 1
            13   16  17 1
            14    4   5 1
            15   17  18 1
            16    5   6 1
            17   18  19 1
            18    6   7 1
            19   19  20 1

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