EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230144 - Vephylline

ChEBI IDCHEBI:230144
ChEBI NameVephylline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N5O4
Net Charge0
Average Mass311.342
Monoisotopic Mass311.15935
SMILESCn1c(=O)c2c(ncn2CCN(CCO)CCO)n(C)c1=O
InChIInChI=1S/C13H21N5O4/c1-15-11-10(12(21)16(2)13(15)22)18(9-14-11)4-3-17(5-7-19)6-8-20/h9,19-20H,3-8H2,1-2H3
InChIKeyKRBHNUALJIYPDN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Vephylline (CHEBI:230144) is a oxopurine (CHEBI:25810)
IUPAC Name 
7-[2-[bis(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
Manual XrefsDatabases
137458ChemSpider
HMDB0247220HMDB