EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:29458 - (E)-2-Butenyl-4-methyl-threonine

ChEBI IDCHEBI:29458
ChEBI Name(E)-2-Butenyl-4-methyl-threonine
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC9H17NO3
Net Charge0
Average Mass187.239
Monoisotopic Mass187.12084
SMILESC/C=C/C[C@@H](C)[C@@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C9H17NO3/c1-3-4-5-6(2)8(11)7(10)9(12)13/h3-4,6-8,11H,5,10H2,1-2H3,(H,12,13)/b4-3+/t6-,7+,8-/m1/s1
InChIKeyRPALEGQGCGCFCX-FIWMUJSFSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-2-Butenyl-4-methyl-threonine (CHEBI:29458) is a non-proteinogenic α-amino acid (CHEBI:83925)
Synonyms  Source
(E)-2-Butenyl-4-methyl-threonineKEGG COMPOUND
2-Butenyl-4-methylthreonineKEGG COMPOUND
Manual XrefsDatabases
C12029KEGG COMPOUND
Registry NumbersSources
CAS:81135-57-1KEGG COMPOUND