F8X

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Summary

Name:2-amino-2-deoxy-beta-D-altropyranuronic acid
Formula:C6 H11 N O6
Formal charge:0
Molecular weight:193.155 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-amino-2-deoxy-beta-D-altropyranuronic acid
OpenEye OEToolkits2.0.7(2~{S},3~{S},4~{S},5~{S},6~{R})-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC1C(O)C(O)C(C(O)=O)OC1O
InChIInChI1.03InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
InChIKeyInChI1.03CRIPFXSBMSGPKB-SYJWYVCOSA-N
SMILES_CANONICALCACTVS3.385N[C@@H]1[C@H](O)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O
SMILESCACTVS3.385N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7[C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N
SMILESOpenEye OEToolkits2.0.7C1(C(C(C(OC1O)C(=O)O)O)O)N
171916
PDB entries from 2020-12-02