EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162500 - Gln-Thr-Asp

ChEBI IDCHEBI:162500
ChEBI NameGln-Thr-Asp
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)CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H22N4O8/c1-5(18)10(17-11(22)6(14)2-3-8(15)19)12(23)16-7(13(24)25)4-9(20)21/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
InChIKeyVOUSELYGTNGEPB-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-Thr-Asp (CHEBI:162500) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid