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CHEBI:39671 - {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:39671
ChEBI Name{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H28N6O5P2
Net Charge0
Average Mass494.429
Monoisotopic Mass494.15964
SMILES[H]OP(=O)(O[H])C([H])([H])[P@](=O)(O[H])c1c([H])c([H])c(N([H])c2nc([C@]3([H])C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C([H])([H])C3([H])[H])nc3c2nc([H])n3C([H])([H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C20H28N6O5P2/c1-2-26-11-22-17-19(24-18(25-20(17)26)13-3-5-14(21)6-4-13)23-15-7-9-16(10-8-15)32(27,28)12-33(29,30)31/h7-11,13-14H,2-6,12,21H2,1H3,(H,27,28)(H,23,24,25)(H2,29,30,31)/t13-,14+
InChIKeyFGMSUCIOAMNCKF-OKILXGFUSA-N
ChEBI Ontology
Outgoing Relation(s)
{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID (CHEBI:39671) is a unclassifieds (CHEBI:27189)
Synonyms  Source
{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACIDPDBeChem
{[(R)-(4-{[2-(trans-4-aminocyclohexyl)-9-ethyl-9H-purin-6-yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acidPDBeChem
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