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CHEBI:164274 - His-Asn-Asp

Default Structure
ChEBI IDCHEBI:164274
ChEBI NameHis-Asn-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20N6O7
Net Charge0
Average Mass384.349
Monoisotopic Mass384.13935
SMILESNC(=O)C[C@H](NC(=O)[C@@H](N)Cc1cncn1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C14H20N6O7/c15-7(1-6-4-17-5-18-6)12(24)19-8(2-10(16)21)13(25)20-9(14(26)27)3-11(22)23/h4-5,7-9H,1-3,15H2,(H2,16,21)(H,17,18)(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t7-,8-,9-/m0/s1
InChIKeyOMNVOTCFQQLEQU-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)
His-Asn-Asp (CHEBI:164274) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid