GOX

(2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL

Created: 2000-08-23
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count4
Bond Count25
Aromatic Bond Count0
2D diagram of GOX
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Chemical Component Summary

Name(2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL
SynonymsD-GLUCONHYDROXIMO-1,5-LACTAM
Systematic Name (OpenEye OEToolkits)(2Z,3S,4S,5R,6R)-2-hydroxyimino-6-(hydroxymethyl)piperidine-3,4,5-triol
FormulaC6 H12 N2 O5
Molecular Weight192.17
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OC1C(O)C(O)C(=N\O)\NC1CO
SMILESCACTVS3.385OC[CH]1NC(=NO)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.7.5C(C1C(C(C(C(=NO)N1)O)O)O)O
Canonical SMILESCACTVS3.385 OC[C@H]1NC(=N\O)/[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.7.5 C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O
InChIInChI1.03 InChI=1S/C6H12N2O5/c9-1-2-3(10)4(11)5(12)6(7-2)8-13/h2-5,9-13H,1H2,(H,7,8)/t2-,3-,4+,5-/m1/s1
InChIKeyInChI1.03 VBXHGXTYZGYTQG-SQOUGZDYSA-N

Drug Info: DrugBank

DrugBank IDDB02376 
NameD-gluconhydroximo-1,5-lactam
Groups experimental
SynonymsD-gluconhydroximo-1,5-lactam

Drug Targets

NameTarget SequencePharmacological ActionActions
Lactase-phlorizin hydrolaseMELSWHVVFIALLSFSCWGSDWESDRNFISTAGPLTNDLLHNLSGLLGDQ...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
PubChem 445248
ChEMBL CHEMBL1213470
CCDC/CSD HASDAG