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CHEBI:125435 - (3R,4S)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxopropyl]phenyl]ethylamino]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide

Default Structure
ChEBI IDCHEBI:125435
ChEBI Name(3R,4S)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxopropyl]phenyl]ethylamino]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide
Stars
DownloadsMolfile
FormulaC25H35N9O5
Net Charge0
Average Mass541.613
Monoisotopic Mass541.27612
SMILESCCNC(=O)C1OC(n2cnc3c(N)nc(NCCc4ccc(CCC(=O)NCCN)cc4)nc32)[C@@H](O)[C@H]1O
InChIInChI=1S/C25H35N9O5/c1-2-28-23(38)20-18(36)19(37)24(39-20)34-13-31-17-21(27)32-25(33-22(17)34)30-11-9-15-5-3-14(4-6-15)7-8-16(35)29-12-10-26/h3-6,13,18-20,24,36-37H,2,7-12,26H2,1H3,(H,28,38)(H,29,35)(H3,27,30,32,33)/t18-,19+,20?,24?/m1/s1
InChIKeyUXUFTKZYJYGMGO-DTUBHJHESA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4S)-5-[6-amino-2-[2-[4-[3-(2-aminoethylamino)-3-oxopropyl]phenyl]ethylamino]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide (CHEBI:125435) is a purine nucleoside (CHEBI:26394)
Manual XrefsDatabases
LSM-36926LINCS