XIM

5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL

Created:	2000-08-17
Last modified:	2020-06-05

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1 entries where XIM is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	3
Bond Count	23
Aromatic Bond Count	5

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Chemical Component Summary
Name	5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
Synonyms	XYLOSE-DERIVED IMIDAZOLE
Systematic Name (OpenEye OEToolkits)	(6R,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
Formula	C₇ H₁₀ N₂ O₃
Molecular Weight	170.166
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1ccn2c1C(O)C(O)C(O)C2
SMILES	CACTVS	3.370	O[CH]1Cn2ccnc2[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	c1cn2c(n1)C(C(C(C2)O)O)O
Canonical SMILES	CACTVS	3.370	O[C@@H]1Cn2ccnc2[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cn2c(n1)[C@@H]([C@H]([C@@H](C2)O)O)O
InChI	InChI	1.03	InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1
InChIKey	InChI	1.03	QMHSBFMMOLGPGR-NGJCXOISSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02374
Name	Xylose-Derived Imidazole
Groups	experimental
Synonyms	Xylose-Derived Imidazole

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Exoglucanase/xylanase	MPRTTPAPGHPARGARTALRTTRRRAATLVVGATVVLPAQAATTLKEAAD...	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