COMPOUND: C04106
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Entry
C04106 Compound
Name
2-(Hydroxymethyl)-4-oxobutanoate;
alpha-Hydroxymethyl succinate semialdehyde;
2-Hydroxymethyl succinate semialdehyde
Formula
C5H8O4
Exact mass
132.0423
Mol weight
132.1146
Structure
Mol file
KCF file
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Reaction
R04397
Pathway
map00750
Vitamin B6 metabolism
Enzyme
3.5.1.66
Other DBs
PubChem:
6797
ChEBI:
17413
3DMET:
B04927
NIKKAJI:
J2.362.074J
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KCF data
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ATOM 9
1 C1c C 28.6538 -19.5668
2 C1b C 27.4167 -18.8561
3 C6a C 29.8909 -18.8561
4 C1b C 28.6538 -21.0014
5 C4a C 26.1729 -19.5668
6 O6a O 31.1281 -19.5734
7 O6a O 29.8909 -17.4216
8 O1a O 27.4167 -21.7186
9 O4a O 24.9834 -18.8733
BOND 8
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 2
7 4 8 1
8 5 9 2
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