GHA

1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT

Created: 2004-06-22
Last modified:  2021-03-01

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Chemical Details

Formal Charge-3
Atom Count38
Chiral Atom Count5
Bond Count38
Aromatic Bond Count0
2D diagram of GHA
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Chemical Component Summary

Name1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT
SynonymsGHAVAMIOL
Systematic Name (OpenEye OEToolkits)n/a
FormulaC9 H18 N O9 S
Molecular Weight316.306
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[O-]S([O-])([O-])OC(C(O)CN1C(C(O)C(O)C1)CO)CO
SMILESCACTVS3.341OC[CH](O[S]([O-])([O-])[O-])[CH](O)CN1C[CH](O)[CH](O)[CH]1CO
SMILESOpenEye OEToolkits1.5.0C1C(C(C(N1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O
Canonical SMILESCACTVS3.341 OC[C@H](O[S]([O-])([O-])[O-])[C@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO
Canonical SMILESOpenEye OEToolkits1.5.0 C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O
InChIInChI1.03 InChI=1S/C9H21NO9S/c11-3-5-9(15)7(14)2-10(5)1-6(13)8(4-12)19-20(16,17)18/h5-9,11-18H,1-4H2/p-3/t5-,6-,7-,8?,9-/m1/s1
InChIKeyInChI1.03 YWOSRVQDYDWMAB-JBXPSPKUSA-K

Drug Info: DrugBank

DrugBank IDDB02492 
NameGhavamiol
Groups experimental
SynonymsGhavamiol
Categories
  • Alcohols
  • Amines
  • Ammonium Compounds
  • Carbohydrates
  • Glycoside Hydrolases, antagonists & inhibitors

Drug Targets

NameTarget SequencePharmacological ActionActions
Alpha-mannosidase 2MKLSRQFTVFGSAIFCVVIFSLYLMLDRGHLDYPRNPRREGSFPQGQLSM...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 131704205