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CHEBI:160413 - Asp-Asp-His

ChEBI IDCHEBI:160413
ChEBI NameAsp-Asp-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19N5O8
Net Charge0
Average Mass385.333
Monoisotopic Mass385.12336
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C14H19N5O8/c15-7(2-10(20)21)12(24)18-8(3-11(22)23)13(25)19-9(14(26)27)1-6-4-16-5-17-6/h4-5,7-9H,1-3,15H2,(H,16,17)(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9-/m0/s1
InChIKeyZCKYZTGLXIEOKS-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-Asp-His (CHEBI:160413) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid