NND

(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL

Created: 2007-06-18
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count4
Bond Count51
Aromatic Bond Count0
2D diagram of NND
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Chemical Component Summary

Name(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL
SynonymsN-NONYL-DEOXYNOJIRIMYCIN
Systematic Name (OpenEye OEToolkits)(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-piperidine-3,4,5-triol
FormulaC15 H31 N O4
Molecular Weight289.411
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OCC1N(CCCCCCCCC)CC(O)C(O)C1O
SMILESCACTVS3.341CCCCCCCCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCN1CC(C(C(C1CO)O)O)O
Canonical SMILESCACTVS3.341 CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Canonical SMILESOpenEye OEToolkits1.5.0 CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChIInChI1.03 InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKeyInChI1.03 FTSCEGKYKXESFF-LXTVHRRPSA-N

Drug Info: DrugBank

DrugBank IDDB08283 
Name(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL
Groups experimental
Synonyms(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL

Drug Targets

NameTarget SequencePharmacological ActionActions
GlucosylceramidaseMEFSSPSREECPKPLSRVSIMAGSLTGLLLLQAVSWASGARPCIPKSFGY...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

Related Resource References

Resource NameReference
Pharos CHEMBL408500
PubChem 501640
ChEMBL CHEMBL408500
ChEBI CHEBI:76399