MVL

(5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL

Created:	2008-01-25
Last modified:	2020-06-05

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10 entries where MVL is found as a standalone ligand3 entries where MVL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	4
Bond Count	27
Aromatic Bond Count	5

2D diagram of MVL

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Chemical Component Summary
Name	(5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
Synonyms	Mannoimidazole
Systematic Name (OpenEye OEToolkits)	(5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
Formula	C₈ H₁₂ N₂ O₄
Molecular Weight	200.192
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1ccn2c1C(O)C(O)C(O)C2CO
SMILES	CACTVS	3.385	OC[CH]1[CH](O)[CH](O)[CH](O)c2nccn12
SMILES	OpenEye OEToolkits	1.7.6	c1cn2c(n1)C(C(C(C2CO)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O
InChI	InChI	1.03	InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
InChIKey	InChI	1.03	RZRDQZQPTISYKY-JWXFUTCRSA-N

Related Resource References

Resource Name	Reference
PubChem	10013016
ChEMBL	CHEMBL1213397

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