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(Q106041859)
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English
dApdT
chemical compound
[(1S,2R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentyl] [(1R,2S,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl hydrogen phosphate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
551.1893475500001
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀N₇O₈P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1cn(C2CC(O)C(COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)CC3CO)C2)c(=O)nc1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1cn([C@@H]2C[C@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)C[C@@H]3CO)[C@@H](O)C2)c(=O)nc1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H30N7O8P/c1-11-6-28(22(33)27-21(11)32)14-3-13(16(31)4-14)8-36-38(34,35)37-17-5-15(2-12(17)7-30)29-10-26-18-19(23)24-9-25-20(18)29/h6,9-10,12-17,30-31H,2-5,7-8H2,1H3,(H,34,35)(H2,23,24,25)(H,27,32,33)/t12-,13-,14-,15-,16+,17+/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
PYHYKJJRWUKSNH-KPLDXPABSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
145459109
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
165810
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
176707582
1 reference
stated in
UniChem
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