EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158651 - Ala-Val-Gln

ChEBI IDCHEBI:158651
ChEBI NameAla-Val-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N4O5
Net Charge0
Average Mass316.358
Monoisotopic Mass316.17467
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H24N4O5/c1-6(2)10(17-11(19)7(3)14)12(20)16-8(13(21)22)4-5-9(15)18/h6-8,10H,4-5,14H2,1-3H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t7-,8-,10-/m0/s1
InChIKeyZCUFMRIQCPNOHZ-NRPADANISA-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)
Ala-Val-Gln (CHEBI:158651) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid