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(Q82575050)
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English
5'-S-Butyl-5'-thioadenosine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
339.136510532
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₄H₂₁N₅O₃S
0 references
canonical SMILES
CCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
0 references
Identifiers
InChI
InChI=1S/C14H21N5O3S/c1-2-3-4-23-5-8-10(20)11(21)14(22-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
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InChIKey
YIZBUJZFFMODRY-IDTAVKCVSA-N
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CAS Registry Number
38716-39-1
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PubChem CID
44401683
1 reference
matched by identifier from
InChIKey
InChIKey
YIZBUJZFFMODRY-IDTAVKCVSA-N
UniChem compound ID
494564
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30658755
1 reference
matched by identifier from
InChIKey
InChIKey
YIZBUJZFFMODRY-IDTAVKCVSA-N
DSSTOX compound identifier
DTXCID70609504
0 references
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