7-(2'-oxo-heptyl)-1,N(2)-ethenoguanine (CHEBI:233227)

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CHEBI:233227 - 7-(2'-oxo-heptyl)-1,N²-ethenoguanine

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ChEBI ID	CHEBI:233227
ChEBI Name	7-(2'-oxo-heptyl)-1,N²-ethenoguanine
Stars
ASCII Name	7-(2'-oxo-heptyl)-1,N(2)-ethenoguanine
Definition	A nucleobase adduct that is 1,N²-ethenoguanine substituted by a 2-oxo-heptyl group at positions 7.
Submitter	nhn
Downloads	Molfile

Formula	C14H17N5O2
Net Charge	0
Average Mass	287.323
Monoisotopic Mass	287.13822
SMILES	CCCCCC(=O)Cc1cnc2nc3ncnc3c(=O)n12
InChI	InChI=1S/C14H17N5O2/c1-2-3-4-5-10(20)6-9-7-15-14-18-12-11(16-8-17-12)13(21)19(9)14/h7-8H,2-6H2,1H3,(H,15,18)(H,16,17)
InChIKey	AQFVNHGKJQZWLF-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	7-(2'-oxo-heptyl)-1,N²-ethenoguanine (CHEBI:233227) has functional parent guanine (CHEBI:16235)
	7-(2'-oxo-heptyl)-1,N²-ethenoguanine (CHEBI:233227) is a imidazopurine (CHEBI:39202)

Synonym	Source
heptanone-1,N²-ε-Gua	SUBMITTER

UniProt Name	Source
7-(2'-oxo-heptyl)-1,N²-ethenoguanine	UniProt

Citations