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CHEBI:160619 - Asp-His-Ser

ChEBI IDCHEBI:160619
ChEBI NameAsp-His-Ser
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](Cc1cncn1)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C13H19N5O7/c14-7(2-10(20)21)11(22)17-8(1-6-3-15-5-16-6)12(23)18-9(4-19)13(24)25/h3,5,7-9,19H,1-2,4,14H2,(H,15,16)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1
InChIKeyICZWAZVKLACMKR-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-Ser (CHEBI:160619) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
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