1-(3-Carboxypropyl)-3,7-dimethylxanthine (CHEBI:177946)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	1-(3-Carboxypropyl)-3,7-dimethylxanthine

ChEBI ID	CHEBI:177946

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H14N4O4

Net Charge

Average Mass

266.257

Monoisotopic Mass

266.10150

InChI

InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)

InChIKey

WKASGTGXOGALBG-UHFFFAOYSA-N

SMILES

O=C1N(CCCC(O)=O)C(=O)N(C=2N=CN(C21)C)C

Metabolite of Species	Details
Bombyx mori (NCBI:txid7091)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

ChEBI Ontology
Outgoing	1-(3-Carboxypropyl)-3,7-dimethylxanthine (CHEBI:177946) is a oxopurine (CHEBI:25810)

IUPAC Name

4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butanoic acid