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(Q76620370)
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English
[(2R,3R,4R,5R)-4-[2-(diaminomethylamino)ethoxy]-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-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
425.13116397799996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₂₄N₅O₉P
0 references
canonical SMILES
Cc1cn(C2OC(COP(=O)(O)O)C(O)C2OCCNC(N)N)c(=O)[nH]c1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCNC(N)N
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Identifiers
InChI
InChI=1S/C13H24N5O9P/c1-6-4-18(13(21)17-10(6)20)11-9(25-3-2-16-12(14)15)8(19)7(27-11)5-26-28(22,23)24/h4,7-9,11-12,16,19H,2-3,5,14-15H2,1H3,(H,17,20,21)(H2,22,23,24)/t7-,8-,9-,11-/m1/s1
0 references
InChIKey
ZVINVJYRGPQIPJ-TURQNECASA-N
0 references
PubChem CID
49867044
1 reference
matched by identifier from
InChIKey
InChIKey
ZVINVJYRGPQIPJ-TURQNECASA-N
UniChem compound ID
655961
1 reference
stated in
UniChem
PDB ligand ID
GMU
0 references
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