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CHEBI:45694 - 3-{2,6,8-trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-yl}propyl dihydrogen phosphate

Default Structure
ChEBI IDCHEBI:45694
ChEBI Name3-{2,6,8-trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-yl}propyl dihydrogen phosphate
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H21N4O11P
Net Charge0
Average Mass440.302
Monoisotopic Mass440.09444
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])OP(=O)(O[H])O[H])c2c(=O)n([H])c(=O)n([H])c21
InChIInChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7+,9+/m0/s1
InChIKeyKPHFGOGGKPGLTM-LKEWCRSYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-{2,6,8-trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-yl}propyl dihydrogen phosphate (CHEBI:45694) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-deoxy-1-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-xylitolPDBeChem
3-{2,6,8-trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-yl}propyl dihydrogen phosphatePDBeChem
Manual XrefsDatabases
T2PPDBeChem