COMPOUND: C03248
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Entry
C03248 Compound
Name
Acetylenedicarboxylate;
Acetylenedicarboxylic acid;
2-Butynedioic acid
Formula
C4H2O4
Exact mass
113.9953
Mol weight
114.0563
Structure
Mol file
KCF file
DB search
Reaction
R00218
R04177
Pathway
map00620
Pyruvate metabolism
Enzyme
4.1.1.78
Other DBs
CAS:
142-45-0
PubChem:
6117
ChEBI:
15357
30781
3DMET:
B00569
NIKKAJI:
J2.544E
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KCF data
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ATOM 8
1 C6a C 27.0190 -17.6413
2 C3b C 28.2311 -18.3381
3 O6a O 25.8069 -18.3381
4 O6a O 27.0190 -16.2419
5 C3b C 29.4489 -17.6413
6 C6a C 30.6610 -16.9387
7 O6a O 31.8731 -17.6413
8 O6a O 30.6610 -15.5393
BOND 7
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 3
5 5 6 1
6 6 7 1
7 6 8 2
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