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NBMPR

PropertiesImage
MNX_IDMNXM107201 Image of MNXM107201
referencechebi:138859
formulaC17H17N5O6S
global charge0
mol weight419.419
InChIKeyDYCJFJRCWPVDHY-LSCFUAHRSA-N
InChIInChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
SMILESO=[N+]([O-])C1=CC=C(CSC2=C3N=CN([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)C3=NC=N2)C=C1
MNX internals
InChI (mnx)InChI=1/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1 Image of MNXM107201
SMILES (mnx)[CH:1]1=[CH:3][C:10]([N+:22]([O-:26])=[O:27])=[CH:4][CH:2]=[C:9]1[CH2:6][S:29][C:16]1=[N:19][CH:7]=[N:18][C:15]2=[C:12]1[N:20]=[CH:8][N:21]2[C@H:17]1[C@H:14]([OH:25])[C@H:13]([OH:24])[C@@H:11]([CH2:5][OH:23])[O:28]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd31108
seedM:cpd31108
CHEBI:138859
chebi:138859
kegg.compound:C20439
keggC:C20439
DYCJFJRCWPVDHY-LSCFUAHRSA-N 		NBMPR
4-Nitrobenzylthioinosine
hmdb:HMDB0255484
DYCJFJRCWPVDHY-UHFFFAOYSA-N 		4-Nitrobenzylthioinosine
2-(Hydroxymethyl)-5-(6-{[(4-nitrophenyl)methyl]sulphanyl}-9H-purin-9-yl)oxolane-3,4-diol
2-(hydroxymethyl)-5-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolane-3,4-diol
4-NBMI
4-Nitrobenzyl-6-mercaptoinosine
4-Nitrobenzylmercaptopurine ribonucleoside
6-((4-Nitrobenzyl)mercapto)purine ribonucleoside
6-((4-Nitrobenzyl)thio)-9-beta-D-ribofuranosylpurine
NBMPR
NBT CPD
NBTI
Nitrobenzyl-6-thioinosine
nitrobenzylthioinosine

keggC:M_C20439
seedM:M_cpd31108 		secondary/obsolete/fantasy identifier