EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160460 - Met-Ala-Gln

ChEBI IDCHEBI:160460
ChEBI NameMet-Ala-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N4O5S
Net Charge0
Average Mass348.425
Monoisotopic Mass348.14674
SMILESCSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H24N4O5S/c1-7(16-12(20)8(14)5-6-23-2)11(19)17-9(13(21)22)3-4-10(15)18/h7-9H,3-6,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t7-,8-,9-/m0/s1
InChIKeyKUQWVNFMZLHAPA-CIUDSAMLSA-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)
Met-Ala-Gln (CHEBI:160460) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid