| Entry |
|
|---|
| Name |
Crepenynate;
(9Z)-Octadec-9-en-12-ynoate;
(Z)-9-Octadecen-12-ynoic acid;
Crepenynic acid
|
|---|
| Formula |
C18H30O2
|
|---|
| Exact mass |
278.2246
|
|---|
| Mol weight |
278.43
|
|---|
| Structure |
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| Reaction |
|
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| Pathway |
| map01060 | Biosynthesis of plant secondary metabolites |
|
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0103 Unsaturated fatty acids
Acetylenic fatty acids
C07289 (Z)-9-Octadecen-12-ynoic acid
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| Other DBs |
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| LinkDB |
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| KCF data |
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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