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(Q106042002)
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chemical compound
[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclopentyl]methyl [(1R,2S,3R,5R)-3-(2,4-dioxopyrimidin-1-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentyl] hydrogen phosphate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
546.1363089339999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₇N₄O₁₂P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=c1nc(O)ccn1C1CC(COP(=O)(O)OC2C(CO)CC(n3ccc(O)nc3=O)C2O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=c1nc(O)ccn1[C@@H]1C[C@H](COP(=O)(O)O[C@@H]2[C@@H](CO)C[C@@H](n3ccc(O)nc3=O)[C@@H]2O)[C@@H](O)[C@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H27N4O12P/c25-7-9-5-12(24-4-2-14(27)22-20(24)32)17(30)18(9)36-37(33,34)35-8-10-6-11(16(29)15(10)28)23-3-1-13(26)21-19(23)31/h1-4,9-12,15-18,25,28-30H,5-8H2,(H,33,34)(H,21,26,31)(H,22,27,32)/t9-,10-,11-,12-,15-,16+,17+,18-/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
TYWVEXPULUUHCC-JXICNGGMSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
145459105
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
165831
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
176707578
1 reference
stated in
UniChem
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