5'-(N-methylcarboxamido)-N(6)-benzyladenosine (CHEBI:192397)

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CHEBI:192397 - 5'-(N-methylcarboxamido)-N(6)-benzyladenosine

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ChEBI ID	CHEBI:192397
ChEBI Name	5'-(N-methylcarboxamido)-N(6)-benzyladenosine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H20N6O4
Net Charge	0
Average Mass	384.396
Monoisotopic Mass	384.15460
SMILES	CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChI	InChI=1S/C18H20N6O4/c1-19-17(27)14-12(25)13(26)18(28-14)24-9-23-11-15(21-8-22-16(11)24)20-7-10-5-3-2-4-6-10/h2-6,8-9,12-14,18,25-26H,7H2,1H3,(H,19,27)(H,20,21,22)/t12-,13+,14-,18+/m0/s1
InChIKey	XZQKRHODUKHITR-MOROJQBDSA-N

Species of Metabolite	Component	Source	Comments
Pinus radiata (ncbitaxon:3347)	leaf (BTO:0000713)	MetaboLights (MTBLS4567)

ChEBI Ontology

Outgoing Relation(s)
	5'-(N-methylcarboxamido)-N(6)-benzyladenosine (CHEBI:192397) is a purine nucleoside (CHEBI:26394)

IUPAC Name
(2S,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide

Manual Xrefs	Databases
171082	ChemSpider

Registry Numbers	Sources
CAS:152918-15-5	ChemIDplus