COMPOUND: C02704
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Entry
C02704 Compound
Name
Monomethyl sulfate;
Methyl sulfate
Formula
CH4O4S
Exact mass
111.983
Mol weight
112.1051
Structure
Mol file
KCF file
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Reaction
R01145
Enzyme
3.1.6.16
Other DBs
CAS:
75-93-4
PubChem:
5667
ChEBI:
17760
PDB-CCD:
V5B
[
PDBj
]
3DMET:
B00486
NIKKAJI:
J1.470B
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KCF data
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ATOM 6
1 S4a S 24.3997 -18.6505
2 O2a O 25.7263 -18.6505
3 O1d O 24.3997 -17.3239
4 O1d O 23.0793 -18.6505
5 O1d O 24.3997 -19.9707
6 C1a C 27.1013 -17.6403
BOND 5
1 1 2 1
2 1 3 2
3 1 4 1
4 1 5 2
5 2 6 1
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