| Entry |
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|---|
| Name |
2-Oxo-9-methylthiononanoic acid;
9-Methylthio-2-nonanoic acid
|
|---|
| Formula |
C10H18O3S
|
|---|
| Exact mass |
218.0977
|
|---|
| Mol weight |
218.32
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| Structure |
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|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
| map01210 | 2-Oxocarboxylic acid metabolism |
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| Enzyme |
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|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0106 Oxo fatty acids
C17228 2-Oxo-9-methylthiononanoic acid
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|---|
| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 14
1 C1a C 10.5700 -14.7000
2 S2a S 11.7824 -14.0000
3 C1b C 12.9949 -14.7000
4 C1b C 14.2073 -14.0000
5 C1b C 15.4197 -14.7000
6 C1b C 16.6322 -14.0000
7 C1b C 17.8446 -14.7000
8 C1b C 19.0570 -14.0000
9 C1b C 20.2695 -14.7000
10 C5a C 21.4819 -14.0000
11 C6a C 22.6944 -14.7000
12 O6a O 23.9068 -14.0000
13 O5a O 21.4819 -12.6000
14 O6a O 22.6944 -16.0999
BOND 13
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 11 12 1
12 10 13 2
13 11 14 2
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