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CHEBI:44861 - 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE

Default Structure
ChEBI IDCHEBI:44861
ChEBI Name3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H27N4O11P
Net Charge0
Average Mass482.383
Monoisotopic Mass482.14139
SMILES[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])n1c(=O)n(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])OP(=O)(O[H])O[H])c2c(=O)n([H])c(=O)n([H])c21
InChIInChI=1S/C16H27N4O11P/c21-8-10(23)12(24)9(22)7-20-13-11(14(25)18-15(26)17-13)19(16(20)27)5-3-1-2-4-6-31-32(28,29)30/h9-10,12,21-24H,1-8H2,(H2,28,29,30)(H2,17,18,25,26)/t9-,10-,12+/m1/s1
InChIKeySLRQIPDGMUYATQ-FOGDFJRCSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE (CHEBI:44861) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-deoxy-1-{2,6,8-trioxo-7-[6-(phosphonooxy)hexyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitolPDBeChem
3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATEPDBeChem
Manual XrefsDatabases
PHRPDBeChem