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CHEBI:228481 - (1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopentanediol

Default Structure
ChEBI IDCHEBI:228481
ChEBI Name(1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopentanediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22N2O2
Net Charge0
Average Mass250.342
Monoisotopic Mass250.16813
SMILESCC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cccnc1
InChIInChI=1S/C14H22N2O2/c1-9(2)7-16-13-11(6-12(17)14(13)18)10-4-3-5-15-8-10/h3-5,8-9,11-14,16-18H,6-7H2,1-2H3/t11-,12-,13-,14-/m1/s1
InChIKeyXXUDZODJHREXRS-AAVRWANBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopentanediol (CHEBI:228481) is a aralkylamine (CHEBI:18000)
IUPAC Name 
(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-3-ylcyclopentane-1,2-diol
Manual XrefsDatabases
29853036ChemSpider