EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158212 - Ala-His-Gln

ChEBI IDCHEBI:158212
ChEBI NameAla-His-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22N6O5
Net Charge0
Average Mass354.367
Monoisotopic Mass354.16517
SMILESC[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H22N6O5/c1-7(15)12(22)20-10(4-8-5-17-6-18-8)13(23)19-9(14(24)25)2-3-11(16)21/h5-7,9-10H,2-4,15H2,1H3,(H2,16,21)(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t7-,9-,10-/m0/s1
InChIKeyLTSBJNNXPBBNDT-HGNGGELXSA-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-His-Gln (CHEBI:158212) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoic acid