| Entry |
|
|---|
| Name |
Hexanoic acid;
Hexanoate;
Hexylic acid;
n-Caproic acid
|
|---|
| Formula |
C6H12O2
|
|---|
| Exact mass |
116.0837
|
|---|
| Mol weight |
116.16
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Enzyme |
|
|---|
| Brite |
Compounds with biological roles [BR:br08001]
Organic acids
Carboxylic acids
Monocarboxylic acids
C01585 Capronate; Hexanoate
Lipids
Fatty acids
Saturated fatty acids
C01585 Caproic acid (6:0)
Lipids [BR:br08002]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0101 Straight chain fatty acids
C01585 Hexanoic acid
Phytochemical compounds [BR:br08003]
Fatty acids related compounds
Fatty acids
Saturated fatty acids
C01585 Caproic acid
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 8
1 C1b C 24.4329 -16.8366
2 C1b C 25.6385 -16.1345
3 C6a C 23.2157 -16.1345
4 C1b C 26.8557 -16.8366
5 O6a O 22.0100 -16.8366
6 O6a O 23.2157 -14.7357
7 C1b C 28.0672 -16.1345
8 C1a C 29.2786 -16.8366
BOND 7
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 2
6 4 7 1
7 7 8 1
|
|---|
