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CHEBI:160593 - Asp-His-Asn

ChEBI IDCHEBI:160593
ChEBI NameAsp-His-Asn
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](Cc1cncn1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C14H20N6O7/c15-7(2-11(22)23)12(24)19-8(1-6-4-17-5-18-6)13(25)20-9(14(26)27)3-10(16)21/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
InChIKeyJOCQXVJCTCEFAZ-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)
Asp-His-Asn (CHEBI:160593) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid