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CHEBI:158533 - Ala-Thr-Glu

Default Structure
ChEBI IDCHEBI:158533
ChEBI NameAla-Thr-Glu
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](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C12H21N3O7/c1-5(13)10(19)15-9(6(2)16)11(20)14-7(12(21)22)3-4-8(17)18/h5-7,9,16H,3-4,13H2,1-2H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t5-,6+,7-,9-/m0/s1
InChIKeyLSMDIAAALJJLRO-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-Thr-Glu (CHEBI:158533) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid