(Q76416328)

English

[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

540.1482110100001 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₂₅N₈O₉P

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canonical SMILES

Nc1ccn(C2CC(O)C(COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3CO)O2)c(=O)n1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=NC5=C(N=CN=C54)N)O

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Identifiers

InChI

InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)14-3-9(29)12(35-14)6-33-37(31,32)36-10-4-15(34-11(10)5-28)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1

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InChIKey

QYDPROPQRFNEDI-IDMWBNCISA-N

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mapping relation type

exact match

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stated in

ChEBI release 2022-06-13

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(Q76416328)

[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

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