EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:93906 - 9-[(4aR,6R,7S)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine

ChEBI IDCHEBI:93906
ChEBI Name9-[(4aR,6R,7S)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine
Stars
DownloadsMolfile
FormulaC17H17ClN5O6PS
Net Charge0
Average Mass485.846
Monoisotopic Mass485.03257
SMILESCO[C@H]1C2OP(=O)(O)OC[C@H]2O[C@H]1n1c(Sc2ccc(Cl)cc2)nc2c(N)ncnc21
InChIInChI=1S/C17H17ClN5O6PS/c1-26-13-12-10(6-27-30(24,25)29-12)28-16(13)23-15-11(14(19)20-7-21-15)22-17(23)31-9-4-2-8(18)3-5-9/h2-5,7,10,12-13,16H,6H2,1H3,(H,24,25)(H2,19,20,21)/t10-,12?,13+,16-/m1/s1
InChIKeyBCGHHRAUZWOTNH-ZIWBQIBKSA-N
ChEBI Ontology
Outgoing Relation(s)
9-[(4aR,6R,7S)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine (CHEBI:93906) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
Manual XrefsDatabases
LSM-4484LINCS