Entry |
|
Name |
(2S)-2-Isopropyl-3-oxosuccinate;
3-Carboxy-4-methyl-2-oxopentanoate;
2-Oxo-4-methyl-3-carboxypentanoate
|
Formula |
C7H10O5
|
Exact mass |
174.0528
|
Mol weight |
174.1513
|
Structure |
|
Reaction |
|
Pathway |
map00290 | Valine, leucine and isoleucine biosynthesis |
map01110 | Biosynthesis of secondary metabolites |
map01210 | 2-Oxocarboxylic acid metabolism |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 12
1 C1c C 25.9039 -20.5752
2 C5a C 27.1168 -19.8722
3 C1c C 24.6911 -19.8722
4 C6a C 25.9039 -21.9751
5 C6a C 28.3359 -20.5752
6 O5a O 27.1168 -18.4657
7 C1a C 23.4719 -20.5752
8 C1a C 24.6911 -18.4657
9 O6a O 24.6847 -22.6718
10 O6a O 27.1231 -22.6718
11 O6a O 28.3215 -21.9301
12 O6a O 29.5488 -19.8656
BOND 11
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 2
11 5 12 1
|