N(2)-carboxyethyl-2'-deoxyguanosine (CHEBI:62029)

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CHEBI:62029 - N²-carboxyethyl-2'-deoxyguanosine

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ChEBI ID	CHEBI:62029
ChEBI Name	N²-carboxyethyl-2'-deoxyguanosine
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ASCII Name	N(2)-carboxyethyl-2'-deoxyguanosine
Definition	A purine 2'-deoxyribonucleoside consisting of 2'-deoxyguanosine having a 1-carboxyethyl group attached at the N²-position.
Last Modified	16 May 2011
Submitter	Steve
Downloads	Molfile

Formula	C13H17N5O6
Net Charge	0
Average Mass	339.308
Monoisotopic Mass	339.11788
SMILES	CC(Nc1nc(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1)C(=O)O
InChI	InChI=1S/C13H17N5O6/c1-5(12(22)23)15-13-16-10-9(11(21)17-13)14-4-18(10)8-2-6(20)7(3-19)24-8/h4-8,19-20H,2-3H2,1H3,(H,22,23)(H2,15,16,17,21)/t5?,6-,7+,8+/m0/s1
InChIKey	MXNKUBJIXVVNPY-UNYLCCJPSA-N

ChEBI Ontology

Outgoing Relation(s)
	N²-carboxyethyl-2'-deoxyguanosine (CHEBI:62029) has functional parent 2'-deoxyguanosine (CHEBI:17172)
	N²-carboxyethyl-2'-deoxyguanosine (CHEBI:62029) is a purine 2'-deoxyribonucleoside (CHEBI:19254)
Incoming Relation(s)
	(R)-N²-carboxyethyl-2'-deoxyguanosine (CHEBI:62035) is a N²-carboxyethyl-2'-deoxyguanosine (CHEBI:62029)
	(S)-N²-carboxyethyl-2'-deoxyguanosine (CHEBI:62036) is a N²-carboxyethyl-2'-deoxyguanosine (CHEBI:62029)

Synonyms	Source
N²-(1-carboxyethyl)-2'-deoxyguanosine	ChEBI
CEdG_A,_B	ChEBI

Registry Numbers	Sources
Reaxys:8136702	Reaxys

Citations