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(Q82368315)
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English
1-Hydroxy-2-sulfanylidene-2-hydroadenosine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
315.063739516
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₀H₁₃N₅O₅S
0 references
canonical SMILES
Nc1c2ncn(C3OC(CO)C(O)C3O)c2nc(=S)n1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=NC2=C(N(C(=S)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
0 references
Identifiers
InChI
InChI=1S/C10H13N5O5S/c11-7-4-8(13-10(21)15(7)19)14(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-19H,1,11H2/t3-,5-,6-,9-/m1/s1
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InChIKey
OWMZKWZHASHSDL-UUOKFMHZSA-N
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CAS Registry Number
64570-12-3
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PubChem CID
12799571
1 reference
matched by identifier from
InChIKey
InChIKey
OWMZKWZHASHSDL-UUOKFMHZSA-N
UniChem compound ID
48465365
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30510187
1 reference
matched by identifier from
InChIKey
InChIKey
OWMZKWZHASHSDL-UUOKFMHZSA-N
DSSTOX compound identifier
DTXCID10460994
0 references
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