EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45661 - (2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid

ChEBI IDCHEBI:45661
ChEBI Name(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid
Stars
ASCII Name(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid
DefinitionA piperidone that consists of 3-hydroxybutanoic acid substituted at position 2 by a 3-amino-6-hydroxy-2-oxopiperidin1-yl group.
Last Modified20 February 2013
DownloadsMolfile
FormulaC9H16N2O5
Net Charge0
Average Mass232.236
Monoisotopic Mass232.10592
SMILESC[C@@H](O)[C@@H](C(=O)O)N1C(=O)[C@@H](N)CC[C@H]1O
InChIInChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1
InChIKeyODVCESWVBOFPFP-UCROKIRRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid (CHEBI:45661) has functional parent butyric acid (CHEBI:30772)
(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid (CHEBI:45661) is a aminopiperidine (CHEBI:48588)
(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid (CHEBI:45661) is a hydroxypiperidine (CHEBI:48590)
(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid (CHEBI:45661) is a monocarboxylic acid (CHEBI:25384)
(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid (CHEBI:45661) is a piperidones (CHEBI:48589)
IUPAC Name 
(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid
Synonym  Source
(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACIDPDBeChem
Manual XrefsDatabases
SUJPDBeChem