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CHEBI:158531 - Ala-Thr-Gln

ChEBI IDCHEBI:158531
ChEBI NameAla-Thr-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O6
Net Charge0
Average Mass318.330
Monoisotopic Mass318.15393
SMILESC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C12H22N4O6/c1-5(13)10(19)16-9(6(2)17)11(20)15-7(12(21)22)3-4-8(14)18/h5-7,9,17H,3-4,13H2,1-2H3,(H2,14,18)(H,15,20)(H,16,19)(H,21,22)/t5-,6+,7-,9-/m0/s1
InChIKeyHCBKAOZYACJUEF-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-Gln (CHEBI:158531) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid