EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219702 - Echiguanine B

ChEBI IDCHEBI:219702
ChEBI NameEchiguanine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14N6O2
Net Charge0
Average Mass250.262
Monoisotopic Mass250.11782
SMILESNCCCNC(=O)c1cnc2nc(N)nc(=O)c12
InChIInChI=1S/C10H14N6O2/c11-2-1-3-13-8(17)5-4-14-7-6(5)9(18)16-10(12)15-7/h4H,1-3,11H2,(H,13,17)(H4,12,14,15,16,18)
InChIKeyVJLKKBXETQVDAL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/np50077a014)
ChEBI Ontology
Outgoing Relation(s)
Echiguanine B (CHEBI:219702) is a pyrimidinecarboxamide (CHEBI:48438)
IUPAC Name 
2-amino-N-(3-aminopropyl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
Manual XrefsDatabases
116647ChemSpider