EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160917 - Asp-Thr-Gln

Default Structure
ChEBI IDCHEBI:160917
ChEBI NameAsp-Thr-Gln
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](N)CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H22N4O8/c1-5(18)10(17-11(22)6(14)4-9(20)21)12(23)16-7(13(24)25)2-3-8(15)19/h5-7,10,18H,2-4,14H2,1H3,(H2,15,19)(H,16,23)(H,17,22)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyQOCFFCUFZGDHTP-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)
Asp-Thr-Gln (CHEBI:160917) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid