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A1AUS

Summary
Name:4-(hydroxymethyl)-1-beta-L-mannopyranosyl-1H-1,2,3-triazole
Formula:C9 H15 N3 O6
Formal charge:0
Formula weight:261.232 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(hydroxymethyl)-1-beta-L-mannopyranosyl-1H-1,2,3-triazole
OpenEye OEToolkits2.0.7(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OCc1nnn(c1)C1OC(CO)C(O)C(O)C1O
InChIInChI1.06InChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8+,9?/m0/s1
InChIKeyInChI1.06BHGZOVXPACYZLI-WMOCKQOXSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)n2cc(CO)nn2
SMILESCACTVS3.385OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2cc(CO)nn2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(nnn1[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)CO
SMILESOpenEye OEToolkits2.0.7c1c(nnn1C2C(C(C(C(O2)CO)O)O)O)CO

250835

PDB entries from 2026-03-18

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