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(Q82761967)
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English
8-Methyl-2-(methylsulfanyl)adenosine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
327.1001250240001
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₇N₅O₄S
0 references
canonical SMILES
CSc1nc(N)c2nc(C)n(C3OC(CO)C(O)C3O)c2n1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)SC)N
0 references
Identifiers
InChI
InChI=1S/C12H17N5O4S/c1-4-14-6-9(13)15-12(22-2)16-10(6)17(4)11-8(20)7(19)5(3-18)21-11/h5,7-8,11,18-20H,3H2,1-2H3,(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
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InChIKey
PWVSHBFOVRYQCZ-IOSLPCCCSA-N
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CAS Registry Number
65991-09-5
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PubChem CID
71369906
1 reference
matched by identifier from
InChIKey
InChIKey
PWVSHBFOVRYQCZ-IOSLPCCCSA-N
UniChem compound ID
56146952
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80792911
1 reference
matched by identifier from
InChIKey
InChIKey
PWVSHBFOVRYQCZ-IOSLPCCCSA-N
DSSTOX compound identifier
DTXCID70743654
0 references
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