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CHEBI:160884 - Asp-Ser-His

Default Structure
ChEBI IDCHEBI:160884
ChEBI NameAsp-Ser-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19N5O7
Net Charge0
Average Mass357.323
Monoisotopic Mass357.12845
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C13H19N5O7/c14-7(2-10(20)21)11(22)18-9(4-19)12(23)17-8(13(24)25)1-6-3-15-5-16-6/h3,5,7-9,19H,1-2,4,14H2,(H,15,16)(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1
InChIKeyNBKLEMWHDLAUEM-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-Ser-His (CHEBI:160884) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid