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(Q82930865)
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English
1-Methyl-9-(5-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
purine nucleotides
1 reference
based on heuristic
inferred from SMILES
mass
362.0627500699999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₅N₄O₈P
0 references
canonical SMILES
Cn1cnc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C11H15N4O8P/c1-14-3-13-9-6(10(14)18)12-4-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,16-17H,2H2,1H3,(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
0 references
InChIKey
CPKNFRPSNBOHIM-IOSLPCCCSA-N
0 references
CAS Registry Number
29855-89-8
0 references
PubChem CID
65375
1 reference
matched by identifier from
InChIKey
InChIKey
CPKNFRPSNBOHIM-IOSLPCCCSA-N
UniChem compound ID
68180815
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20952310
1 reference
matched by identifier from
InChIKey
InChIKey
CPKNFRPSNBOHIM-IOSLPCCCSA-N
DSSTOX compound identifier
DTXCID001380407
0 references
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