COMPOUND: C06001
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Entry
C06001 Compound
Name
(S)-3-Hydroxyisobutyrate
Formula
C4H8O3
Exact mass
104.0473
Mol weight
104.10
Structure
Mol file
KCF file
DB search
Reaction
R05064
R05066
Pathway
map00280
Valine, leucine and isoleucine degradation
map01100
Metabolic pathways
Enzyme
1.1.1.31
3.1.2.4
Other DBs
PubChem:
8275
ChEBI:
37373
62638
PDB-CCD:
HUI
[
PDBj
]
NIKKAJI:
J61.903E
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KCF data
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ATOM 7
1 C1c C 25.8359 -20.9709
2 C6a C 27.0492 -20.2709
3 C1b C 24.6224 -20.2766
4 C1a C 25.8300 -22.3710
5 O6a O 28.2625 -20.9592
6 O6a O 27.0433 -18.8649
7 O1a O 23.4160 -20.9796
BOND 6
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
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