EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158162 - Ala-Glu-Thr

ChEBI IDCHEBI:158162
ChEBI NameAla-Glu-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O7
Net Charge0
Average Mass319.314
Monoisotopic Mass319.13795
SMILESC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C12H21N3O7/c1-5(13)10(19)14-7(3-4-8(17)18)11(20)15-9(6(2)16)12(21)22/h5-7,9,16H,3-4,13H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t5-,6+,7-,9-/m0/s1
InChIKeyXYTNPQNAZREREP-XQXXSGGOSA-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)
Ala-Glu-Thr (CHEBI:158162) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-oxopentanoic acid