COMPOUND: C04236
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Entry
C04236 Compound
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
174.15
Structure
Mol file
KCF file
DB search
Reaction
R01652
R04426
Pathway
map00290
Valine, leucine and isoleucine biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
map01210
2-Oxocarboxylic acid metabolism
Enzyme
1.1.1.85
Other DBs
PubChem:
6905
ChEBI:
1467
NIKKAJI:
J2.747.832H
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KCF data
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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
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