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CHEBI:164187 - His-Ala-Ala

ChEBI IDCHEBI:164187
ChEBI NameHis-Ala-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N5O4
Net Charge0
Average Mass297.315
Monoisotopic Mass297.14370
SMILESC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C12H19N5O4/c1-6(10(18)17-7(2)12(20)21)16-11(19)9(13)3-8-4-14-5-15-8/h4-7,9H,3,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)(H,20,21)/t6-,7-,9-/m0/s1
InChIKeyBIAKMWKJMQLZOJ-ZKWXMUAHSA-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)
His-Ala-Ala (CHEBI:164187) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]propanoic acid