AHG

2,5-anhydro-1,6-di-O-phosphono-D-glucitol

Created:1999-07-08
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count4
Bond Count33
Aromatic Bond Count0
2D diagram of AHG

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Chemical Component Summary

Name2,5-anhydro-1,6-di-O-phosphono-D-glucitol
Synonyms2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2S,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
FormulaC6 H14 O11 P2
Molecular Weight324.116
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OCC1OC(C(O)C1O)COP(=O)(O)O)(O)O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(O1)COP(=O)(O)O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
InChIKeyInChI1.03 WSMBXSQDFPTODV-JGWLITMVSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02778 
Name2,5-Anhydroglucitol-1,6-Biphosphate
Groups experimental
Synonyms2,5-Anhydroglucitol-1,6-Biphosphate

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Fructose-1,6-bisphosphatase 1MADQAPFDTDVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAVR...unknowninhibitor
Fructose-1,6-bisphosphatase isozyme 2MTDRSPFETDMLTLTRYVMEKGRQAKGTGELTQLLNSMLTAIKAISSAVR...unknowninhibitor
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 445555