EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2815 - Arenaine

ChEBI IDCHEBI:2815
ChEBI NameArenaine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H17N3O
Net Charge0
Average Mass207.277
Monoisotopic Mass207.13716
SMILES[H][C@@]12CCC(C)(C=C)N1C(=N)NC(=O)[C@H]2C
InChIInChI=1S/C11H17N3O/c1-4-11(3)6-5-8-7(2)9(15)13-10(12)14(8)11/h4,7-8H,1,5-6H2,2-3H3,(H2,12,13,15)/t7-,8-,11?/m0/s1
InChIKeyJICZMZVYTMAXGX-KHSUWTBESA-N
ChEBI Ontology
Outgoing Relation(s)
Arenaine (CHEBI:2815) is a pyrimidines (CHEBI:39447)
Synonym  Source
ArenaineKEGG COMPOUND
Manual XrefsDatabases
C09912KEGG COMPOUND
C00001962KNApSAcK
Registry NumbersSources
CAS:35471-10-4KEGG COMPOUND