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 search
Reaction
Pathway
map00591  Linoleic acid metabolism
map01060  Biosynthesis of plant secondary metabolites
Enzyme
Other DBs
CAS: 2277-31-8
PubChem: 9498
ChEBI: 14030 16423
KNApSAcK: C00001278
3DMET: B01085
NIKKAJI: J13.791J
LinkDB All DBs
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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