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CHEBI:91546 - butanoic acid [(4aS,5R,6R,7aR)-2-hydroxy-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphorin-5-yl] ester

ChEBI IDCHEBI:91546
ChEBI Namebutanoic acid [(4aS,5R,6R,7aR)-2-hydroxy-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphorin-5-yl] ester
Stars
DownloadsMolfile
FormulaC18H24N5O8P
Net Charge0
Average Mass469.391
Monoisotopic Mass469.13625
SMILESCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2OP(=O)(O)OC[C@H]2[C@H]1OC(=O)CCC
InChIInChI=1S/C18H24N5O8P/c1-3-5-11(24)22-15-13-16(20-8-19-15)23(9-21-13)17-14(29-12(25)6-4-2)10-7-28-32(26,27)31-18(10)30-17/h8-10,14,17-18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14+,17+,18+/m0/s1
InChIKeyZKSUYDZTGVUZGX-VBJMPTANSA-N
ChEBI Ontology
Outgoing Relation(s)
butanoic acid [(4aS,5R,6R,7aR)-2-hydroxy-2-oxo-6-[6-(1-oxobutylamino)-9-purinyl]-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3,2]dioxaphosphorin-5-yl] ester (CHEBI:91546) is a purines (CHEBI:26401)
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