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CHEBI:46237 - 4-{2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-yl}butyl dihydrogen phosphate

Default Structure
ChEBI IDCHEBI:46237
ChEBI Name4-{2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-yl}butyl dihydrogen phosphate
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H23N4O11P
Net Charge0
Average Mass454.329
Monoisotopic Mass454.11009
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])OP(=O)(O[H])O[H])c2c(=O)n([H])c(=O)n([H])c21
InChIInChI=1S/C14H23N4O11P/c19-6-8(21)10(22)7(20)5-18-11-9(12(23)16-13(24)15-11)17(14(18)25)3-1-2-4-29-30(26,27)28/h7-8,10,19-22H,1-6H2,(H2,26,27,28)(H2,15,16,23,24)/t7-,8-,10+/m1/s1
InChIKeyVBXZSBKAJFXURR-MRTMQBJTSA-N
ChEBI Ontology
Outgoing Relation(s)
4-{2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-yl}butyl dihydrogen phosphate (CHEBI:46237) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitolPDBeChem
4-{2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-yl}butyl dihydrogen phosphatePDBeChem
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