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CHEBI:160660 - Asp-Ile-Ser

ChEBI IDCHEBI:160660
ChEBI NameAsp-Ile-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O7
Net Charge0
Average Mass333.341
Monoisotopic Mass333.15360
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C13H23N3O7/c1-3-6(2)10(12(21)15-8(5-17)13(22)23)16-11(20)7(14)4-9(18)19/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t6-,7-,8-,10-/m0/s1
InChIKeyKLYPOCBLKMPBIQ-GHCJXIJMSA-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-Ile-Ser (CHEBI:160660) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S,3S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid