COMPOUND: C01857
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Entry
C01857 Compound
Name
Thioacetate;
Thioacetic acid
Formula
C2H4OS
Exact mass
75.9983
Mol weight
76.1176
Structure
Mol file
KCF file
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Reaction
R01850
Enzyme
2.3.1.10
Other DBs
CAS:
507-09-5
PubChem:
4974
ChEBI:
16555
26952
3DMET:
B00361
NIKKAJI:
J35.909B
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KCF data
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ATOM 4
1 C5a C 22.1200 -16.5200
2 C1a C 20.9083 -17.2226
3 O5a O 22.1200 -15.1214
4 S1a S 23.3317 -17.2226
BOND 3
1 1 2 1
2 1 3 2
3 1 4 1
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