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CHEBI:91503 - butanoic acid [(4aS,7S,7aS)-2-hydroxy-2-oxo-6-[6-oxo-2-(1-oxobutylamino)-3H-purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester

ChEBI IDCHEBI:91503
ChEBI Namebutanoic acid [(4aS,7S,7aS)-2-hydroxy-2-oxo-6-[6-oxo-2-(1-oxobutylamino)-3H-purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester
Stars
DownloadsMolfile
FormulaC18H24N5O9P
Net Charge0
Average Mass485.390
Monoisotopic Mass485.13116
SMILESCCCC(=O)Nc1nc(=O)c2ncn(C3O[C@H]4COP(=O)(O)O[C@@H]4[C@@H]3OC(=O)CCC)c2n1
InChIInChI=1S/C18H24N5O9P/c1-3-5-10(24)20-18-21-15-12(16(26)22-18)19-8-23(15)17-14(31-11(25)6-4-2)13-9(30-17)7-29-33(27,28)32-13/h8-9,13-14,17H,3-7H2,1-2H3,(H,27,28)(H2,20,21,22,24,26)/t9-,13-,14-,17?/m0/s1
InChIKeySWTMOFFYOXKQNN-UVQKOMKVSA-N
ChEBI Ontology
Outgoing Relation(s)
butanoic acid [(4aS,7S,7aS)-2-hydroxy-2-oxo-6-[6-oxo-2-(1-oxobutylamino)-3H-purin-9-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester (CHEBI:91503) is a 3',5'-cyclic purine nucleotide (CHEBI:19834)
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