EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162523 - Gln-Thr-Ser

ChEBI IDCHEBI:162523
ChEBI NameGln-Thr-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O7
Net Charge0
Average Mass334.329
Monoisotopic Mass334.14885
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H22N4O7/c1-5(18)9(11(21)15-7(4-17)12(22)23)16-10(20)6(13)2-3-8(14)19/h5-7,9,17-18H,2-4,13H2,1H3,(H2,14,19)(H,15,21)(H,16,20)(H,22,23)/t5-,6+,7+,9+/m1/s1
InChIKeyARYKRXHBIPLULY-XKBZYTNZSA-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-Ser (CHEBI:162523) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid