EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:163689 - Thr-Asn-Ala

ChEBI IDCHEBI:163689
ChEBI NameThr-Asn-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20N4O6
Net Charge0
Average Mass304.303
Monoisotopic Mass304.13828
SMILESC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C11H20N4O6/c1-4(11(20)21)14-9(18)6(3-7(12)17)15-10(19)8(13)5(2)16/h4-6,8,16H,3,13H2,1-2H3,(H2,12,17)(H,14,18)(H,15,19)(H,20,21)/t4-,5+,6-,8-/m0/s1
InChIKeySWIKDOUVROTZCW-GCJQMDKQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thr-Asn-Ala (CHEBI:163689) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]propanoic acid