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(Q76620652)
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English
[(2R,3S,5R)-3-hydroxy-5-[(5R)-5-methyl-5-(methylamino)-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrimidine nucleotide
1 reference
based on heuristic
inferred from SMILES
mass
353.09880122999994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₂₀N₃O₈P
0 references
canonical SMILES
CC1(CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)NC
1 reference
stated in
RCSB protein data bank
PDB ligand ID
TDY
language of work or name
English
retrieved
16 February 2021
isomeric SMILES
C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)NC
0 references
Identifiers
InChI
InChI=1S/C11H20N3O8P/c1-11(12-2)5-14(10(17)13-9(11)16)8-3-6(15)7(22-8)4-21-23(18,19)20/h6-8,12,15H,3-5H2,1-2H3,(H,13,16,17)(H2,18,19,20)/t6-,7+,8+,11+/m0/s1
0 references
InChIKey
GANAXGZWNNBICE-PRKAOEEVSA-N
0 references
PubChem CID
49867730
1 reference
matched by identifier from
InChIKey
InChIKey
GANAXGZWNNBICE-PRKAOEEVSA-N
UniChem compound ID
637414
1 reference
stated in
UniChem
PDB ligand ID
TDY
0 references
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