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CHEBI:62032 - N2-carboxyethylguanine

ChEBI IDCHEBI:62032
ChEBI NameN2-carboxyethylguanine
Stars
ASCII NameN(2)-carboxyethylguanine
DefinitionAn alanine derivative consisting of alanine having a 6-oxo-6,9-dihydro-1H-purin-2-yl group attached to the amino function.
Last Modified16 May 2011
SubmitterSteve
DownloadsMolfile
FormulaC8H9N5O3
Net Charge0
Average Mass223.192
Monoisotopic Mass223.07054
SMILESCC(Nc1nc(=O)c2ncnc2n1)C(=O)O
InChIInChI=1S/C8H9N5O3/c1-3(7(15)16)11-8-12-5-4(6(14)13-8)9-2-10-5/h2-3H,1H3,(H,15,16)(H3,9,10,11,12,13,14)
InChIKeyYCCGSWHBNBAHIT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N2-carboxyethylguanine (CHEBI:62032) has functional parent guanine (CHEBI:16235)
N2-carboxyethylguanine (CHEBI:62032) is a alanine derivative (CHEBI:22278)
IUPAC Name 
N-(6-oxo-6,9-dihydro-1H-purin-2-yl)alanine
Synonyms  Source
CEguanineChEBI
N2-(1-carboxyethyl)guanineChEBI
Citations