EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164368 - Thr-Val-Gln

Default Structure
ChEBI IDCHEBI:164368
ChEBI NameThr-Val-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N4O6
Net Charge0
Average Mass346.384
Monoisotopic Mass346.18523
SMILESCC(C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H26N4O6/c1-6(2)11(18-12(21)10(16)7(3)19)13(22)17-8(14(23)24)4-5-9(15)20/h6-8,10-11,19H,4-5,16H2,1-3H3,(H2,15,20)(H,17,22)(H,18,21)(H,23,24)/t7-,8+,10+,11+/m1/s1
InChIKeyQGVBFDIREUUSHX-IFFSRLJSSA-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)
Thr-Val-Gln (CHEBI:164368) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid