afegostat (CHEBI:194390)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	afegostat

ChEBI ID	CHEBI:194390

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H13NO3

Net Charge

Average Mass

147.174

Monoisotopic Mass

147.08954

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

SMILES

O[C@@H]1[C@H](CNC[C@H]1O)CO

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in cerebral cortex (BTO:0000233). See: MetaboLights Study

ChEBI Ontology
Outgoing	afegostat (CHEBI:194390) is a piperidines (CHEBI:26151)

IUPAC Name

(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol