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CHEBI:160601 - Asp-His-Glu

Default Structure
ChEBI IDCHEBI:160601
ChEBI NameAsp-His-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21N5O8
Net Charge0
Average Mass399.360
Monoisotopic Mass399.13901
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C15H21N5O8/c16-8(4-12(23)24)13(25)20-10(3-7-5-17-6-18-7)14(26)19-9(15(27)28)1-2-11(21)22/h5-6,8-10H,1-4,16H2,(H,17,18)(H,19,26)(H,20,25)(H,21,22)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1
InChIKeyCRNKLABLTICXDV-GUBZILKMSA-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-Glu (CHEBI:160601) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid