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CHEBI:162013 - Gln-Asp-Thr

ChEBI IDCHEBI:162013
ChEBI NameGln-Asp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O8
Net Charge0
Average Mass362.339
Monoisotopic Mass362.14376
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O
InChIInChI=1S/C13H22N4O8/c1-5(18)10(13(24)25)17-12(23)7(4-9(20)21)16-11(22)6(14)2-3-8(15)19/h5-7,10,18H,2-4,14H2,1H3,(H2,15,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyUICOTGULOUGGLC-NUMRIWBASA-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)
Gln-Asp-Thr (CHEBI:162013) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid