IFM

5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE

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is present as a standalone ligand in 13 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 14 entries

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Chemical Component Summary
Name	5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE
Synonyms	Afegostat; isofagomine; (3R,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-3,4-DIOL
Identifiers	(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
Formula	C₆ H₁₃ N O₃
Molecular Weight	147.172
Type	NON-POLYMER
Isomeric SMILES	C1[C@@H]([C@H]([C@@H](CN1)O)O)CO
InChI	InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
InChIKey	QPYJXFZUIJOGNX-HSUXUTPPSA-N

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

Drug Info: DrugBank

DrugBank ID	DB04545 ?
Name	Afegostat
Groups	investigational experimental
Synonyms	Isofagomine Afegostat (3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol Afegostat tartrate
Categories	Carbohydrates Glycoside Hydrolases, antagonists & inhibitors Imines Imino Sugars Piperidines
CAS number	169105-89-9

Drug Targets

Name	Target Sequence	Pharmacological Action
Endoglucanase 5A	MKKITTIFVVLLMTVALFSIGNTTAADNDSVVEEHGQLSISNGELVNERG...	unknown
Beta-glucosidase A	MNVKKFPEGFLWGVATASYQIEGSPLADGAGMSIWHTFSHTPGNVKNGDT...	unknown
Possible cellulase CelA1 (Endoglucanase) (Endo-1,4-beta-glucanase) (FI-cmcase) (Carboxymethyl cellulase)	MTRRTGQRWRGTLPGRRPWTRPAPATCRRHLAFVELRHYFARVMSSAIGS...	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