EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:163831 - Thr-Gln-Met

ChEBI IDCHEBI:163831
ChEBI NameThr-Gln-Met
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N4O6S
Net Charge0
Average Mass378.451
Monoisotopic Mass378.15731
SMILESCSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C14H26N4O6S/c1-7(19)11(16)13(22)17-8(3-4-10(15)20)12(21)18-9(14(23)24)5-6-25-2/h7-9,11,19H,3-6,16H2,1-2H3,(H2,15,20)(H,17,22)(H,18,21)(H,23,24)/t7-,8+,9+,11+/m1/s1
InChIKeyMQUZMZBFKCHVOB-HJGDQZAQSA-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-Gln-Met (CHEBI:163831) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulanylbutanoic acid