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TUX

Summary
Name:1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL
Synonyms:TU-514
Formula:C22 H41 N O7
Formal charge:0
Formula weight:431.563 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041,5-anhydro-2-deoxy-2-[2-(hydroxyamino)-2-oxoethyl]-3-O-tetradecanoyl-D-glucitol
OpenEye OEToolkits1.5.0[(2R,3S,4R,5S)-3-hydroxy-5-[2-(hydroxyamino)-2-oxo-ethyl]-2-(hydroxymethyl)oxan-4-yl] tetradecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)CO
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@H](CO)[C@H]1O)CC(=O)NO
SMILESCACTVS3.341CCCCCCCCCCCCCC(=O)O[CH]1[CH](CO[CH](CO)[CH]1O)CC(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)CC(=O)NO
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCCC(=O)OC1C(COC(C1O)CO)CC(=O)NO
InChIInChI1.03InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1
InChIKeyInChI1.03INAPDIIIYSWKOC-XHIHJMKYSA-N

246905

PDB entries from 2025-12-31

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