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CHEBI:134653 - isotabtoxin

ChEBI IDCHEBI:134653
ChEBI Nameisotabtoxin
Stars
DefinitionA dipeptide obtained by formal condensation of the carboxy group of (2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carboxylic acid (tabtoxinine-δ-lactam) with the amino group of L-threonine.
Last Modified21 July 2017
SubmitterKeeva
DownloadsMolfile
FormulaC11H19N3O6
Net Charge0
Average Mass289.288
Monoisotopic Mass289.12739
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H]1CC[C@](O)(CN)C(=O)N1)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-5(15)7(9(17)18)14-8(16)6-2-3-11(20,4-12)10(19)13-6/h5-7,15,20H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18)/t5-,6+,7+,11+/m1/s1
InChIKeyZVGWGRIWDBHNIQ-WDOVLDDZSA-N
Species of MetaboliteComponentSourceComments
Apis cerana (ncbitaxon:7461) - MetaboLights (MTBLS379)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
isotabtoxin (CHEBI:134653) has functional parent tabtoxinine-δ-lactam (CHEBI:133888)
isotabtoxin (CHEBI:134653) is a L-threonine derivative (CHEBI:84189)
isotabtoxin (CHEBI:134653) is a dipeptide (CHEBI:46761)
isotabtoxin (CHEBI:134653) is a piperidones (CHEBI:48589)
isotabtoxin (CHEBI:134653) is a primary amino compound (CHEBI:50994)
isotabtoxin (CHEBI:134653) is a secondary alcohol (CHEBI:35681)
isotabtoxin (CHEBI:134653) is a tertiary alcohol (CHEBI:26878)
isotabtoxin (CHEBI:134653) is a δ-lactam (CHEBI:77727)
IUPAC Name 
N-[(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carbonyl]-L-threonine
Synonyms  Source
delta-TabtoxinKEGG COMPOUND
δ-tabtoxinChEBI
Manual XrefsDatabases
C20919KEGG COMPOUND
Registry NumbersSources
Reaxys:6431870Reaxys
Citations