7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one (CHEBI:46542)

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CHEBI:46542 - 7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one

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ChEBI ID	CHEBI:46542
ChEBI Name	7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
Stars
ASCII Name	7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
Last Modified	16 May 2008
Downloads	Molfile

Formula	C21H29N6O12P
Net Charge	0
Average Mass	588.467
Monoisotopic Mass	588.15811
SMILES	[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(n2c([H])nc3c(=O)n4c(C([H])([H])C([H])([H])[C@@]([H])(C(=O)OC([H])([H])[H])N([H])C(=O)OC([H])([H])[H])c(C([H])([H])[H])nc4n(C([H])([H])[H])c32)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[H]
InChI	InChI=1S/C21H29N6O12P/c1-9-11(6-5-10(19(31)36-3)24-21(32)37-4)27-17(30)13-16(25(2)20(27)23-9)26(8-22-13)18-15(29)14(28)12(39-18)7-38-40(33,34)35/h8,10,12,14-15,18,28-29H,5-7H2,1-4H3,(H,24,32)(H2,33,34,35)/t10-,12+,14+,15+,18+/m0/s1
InChIKey	WOMRPCAFQVCGCI-QHOAOGIMSA-N

ChEBI Ontology

Outgoing Relation(s)
	7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one (CHEBI:46542) is a N-glycosyl compound (CHEBI:21731)
	7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one (CHEBI:46542) is a carbamate ester (CHEBI:23003)
	7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one (CHEBI:46542) is a imidazopurine (CHEBI:39202)
	7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one (CHEBI:46542) is a ribose monophosphate (CHEBI:35159)

Synonyms	Source
4-(3-[5-O-PHOSPHONORIBOFURANOSYL]-4,6-DIMETHYL-8-OXO-4,8-DIHYDRO-3H-1,3,4,5,7A-PENTAAZA-S-INDACEN-YLAMINO-BUTYRIC ACID METHYL ESTER	PDBeChem
7-{(3S)-4-methoxy-3-[(methoxycarbonyl)amino]-4-oxobutyl}-4,6-dimethyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one	PDBeChem

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