CHEBI:121517 - 3,5-dimethyl-4-isoxazolecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,5-dimethyl-4-isoxazolecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester
ChEBI ID CHEBI:121517
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H25N5O5
Net Charge 0
Average Mass 403.433
Monoisotopic Mass 403.18557
InChI InChI=1S/C19H25N5O5/c1-5-7-9-24-16-15(17(25)21-19(24)27)23(8-6-2)13(20-16)10-28-18(26)14-11(3)22-29-12(14)4/h5-10H2,1-4H3,(H,21,25,27)
InChIKey ITPCKJLTMSZYFI-UHFFFAOYSA-N
SMILES CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(ON=C3C)C)CCC
ChEBI Ontology
Outgoing 3,5-dimethyl-4-isoxazolecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester (CHEBI:121517) is a oxopurine (CHEBI:25810)
Manual Xref Database
LSM-32960 LINCS
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