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CHEBI:157996 - Ala-Asn-His

ChEBI IDCHEBI:157996
ChEBI NameAla-Asn-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N6O5
Net Charge0
Average Mass340.340
Monoisotopic Mass340.14952
SMILESC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C13H20N6O5/c1-6(14)11(21)18-8(3-10(15)20)12(22)19-9(13(23)24)2-7-4-16-5-17-7/h4-6,8-9H,2-3,14H2,1H3,(H2,15,20)(H,16,17)(H,18,21)(H,19,22)(H,23,24)/t6-,8-,9-/m0/s1
InChIKeyHGRBNYQIMKTUNT-XVYDVKMFSA-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-Asn-His (CHEBI:157996) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid