SNI

9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE

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Chemical Component Summary
Name	9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE
Synonyms	SELENOINOSINE
Identifiers	9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purine-6-selone
Formula	C₁₀ H₁₂ N₄ O₄ Se
Molecular Weight	331.187
Type	NON-POLYMER
Isomeric SMILES	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se]
InChI	InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1
InChIKey	MXLAAGNIPFEHEI-KQYNXXCUSA-N

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	4
Bond Count	33
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB02753
Name	Selenoinosine
Groups	experimental
Synonyms	Selenoinosine
Categories	Selenium Compounds
CAS number	40093-99-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nucleoside deoxyribosyltransferase-I	MKAVVPTGKIYLGSPFYSDAQRERAAKAKELLAKNPSIAHVFFPFDDGFT...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682