| Entry |
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|---|
| Name |
Octanoic acid;
Caprylic acid;
Octylic acid;
Octanoate
|
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| Formula |
C8H16O2
|
|---|
| Exact mass |
144.115
|
|---|
| Mol weight |
144.2114
|
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| Structure |
|
|---|
| Remark |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01060 | Biosynthesis of plant secondary metabolites |
| map01066 | Biosynthesis of alkaloids derived from terpenoid and polyketide |
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| Enzyme |
|
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| Brite |
Compounds with biological roles [BR:br08001]
Organic acids
Carboxylic acids
Monocarboxylic acids
C06423 Caprylate; Octanoate
Lipids
Fatty acids
Saturated fatty acids
C06423 Caprylic acid (8:0)
Lipids [BR:br08002]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0101 Straight chain fatty acids
C06423 Octanoic acid
Phytochemical compounds [BR:br08003]
Fatty acids related compounds
Fatty acids
Saturated fatty acids
C06423 Octanoic acid
|
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| Other DBs |
|
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| KCF data |
ATOM 10
1 C1b C 23.8599 -17.3604
2 C1b C 25.0768 -18.0592
3 C1b C 22.6486 -18.0592
4 C1b C 26.2881 -17.3604
5 C6a C 21.4316 -17.3604
6 C1b C 27.4992 -18.0592
7 O6a O 20.2205 -18.0592
8 O6a O 21.4316 -15.9570
9 C1b C 28.7162 -17.3604
10 C1a C 29.9216 -18.0592
BOND 9
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 5 8 2
8 6 9 1
9 9 10 1
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