CHEBI:94615 - 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid
ChEBI ID CHEBI:94615
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C9H10N4O4
Net Charge 0
Average Mass 238.200
Monoisotopic Mass 238.07020
InChI InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
InChIKey HCYFGRCYSCXKNQ-UHFFFAOYSA-N
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
ChEBI Ontology
Outgoing 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid (CHEBI:94615) is a oxopurine (CHEBI:25810)
Synonyms Sources
acephylline DrugCentral
carboxymethyltheophylline DrugCentral
theophyllineacetic acid DrugCentral
Manual Xrefs Databases
49 DrugCentral
LSM-5551 LINCS
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Registry Number Type Source
652-37-9 CAS Registry Number DrugCentral
Last Modified
22 February 2017