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CHEBI:39534 - ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINE

Default Structure
ChEBI IDCHEBI:39534
ChEBI NameADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC19H25N7O14P2
Net Charge0
Average Mass637.392
Monoisotopic Mass637.09347
SMILES[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])c([H])c(=O)n([H])c2=O)C([H])([H])[C@]1([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-15(30)14(29)10(38-18)5-36-41(32,33)40-42(34,35)39-8-3-12(37-9(8)4-27)25-2-1-11(28)24-19(25)31/h1-2,6-10,12,14-15,18,27,29-30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,28,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
InChIKeyNGHFJGUDQJTSRY-LNAOLWRRSA-N
ChEBI Ontology
Outgoing Relation(s)
ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINE (CHEBI:39534) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen diphosphate (non-preferred name)PDBeChem
ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINEPDBeChem
Manual XrefsDatabases
139PDBeChem