CHEBI:134653 - isotabtoxin

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ChEBI Name isotabtoxin
ChEBI ID CHEBI:134653
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H19N3O6
Net Charge 0
Average Mass 289.286
Monoisotopic Mass 289.12739
InChI InChI=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
InChIKey ZVGWGRIWDBHNIQ-WDOVLDDZSA-N
SMILES C[C@H]([C@H](NC([C@H]1NC([C@](CC1)(CN)O)=O)=O)C(=O)O)O
Metabolite of Species Details
Apis cerana (NCBI:txid7461) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isotabtoxin (CHEBI:134653) has functional parent tabtoxinine-δ-lactam (CHEBI:133888)
isotabtoxin (CHEBI:134653) is a δ-lactam (CHEBI:77727)
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)
IUPAC Name
N-[(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carbonyl]-L-threonine
Synonyms Sources
δ-tabtoxin ChEBI
delta-Tabtoxin KEGG COMPOUND
Manual Xref Database
C20919 KEGG COMPOUND
View more database links
Registry Number Type Source
6431870 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
120492 PubMed citation Europe PMC
22069758 PubMed citation Europe PMC
Last Modified
21 July 2017