| Entry |
|
|---|
| Name |
2-Oxo-8-methylthiooctanoic acid;
8-Methylthio-2-octanoic acid
|
|---|
| Formula |
C9H16O3S
|
|---|
| Exact mass |
204.0820
|
|---|
| Mol weight |
204.29
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
| map01210 | 2-Oxocarboxylic acid metabolism |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0106 Oxo fatty acids
C17224 2-Oxo-8-methylthiooctanoic acid
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 13
1 C1a C 14.9800 -14.7700
2 S2a S 16.1924 -15.4700
3 C1b C 17.4049 -14.7700
4 C1b C 18.6173 -15.4700
5 C1b C 19.8297 -14.7700
6 C1b C 21.0422 -15.4700
7 C1b C 22.2546 -14.7700
8 C1b C 23.4670 -15.4700
9 C5a C 24.6795 -14.7700
10 C6a C 25.8919 -15.4700
11 O6a O 27.1044 -14.7700
12 O5a O 24.6795 -13.3703
13 O6a O 25.8919 -16.8700
BOND 12
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 9 12 2
12 10 13 2
|
|---|
