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CHEBI:158400 - Ile-Glu-Ser

ChEBI IDCHEBI:158400
ChEBI NameIle-Glu-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N3O7
Net Charge0
Average Mass347.368
Monoisotopic Mass347.16925
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C14H25N3O7/c1-3-7(2)11(15)13(22)16-8(4-5-10(19)20)12(21)17-9(6-18)14(23)24/h7-9,11,18H,3-6,15H2,1-2H3,(H,16,22)(H,17,21)(H,19,20)(H,23,24)/t7-,8-,9-,11-/m0/s1
InChIKeySPQWWEZBHXHUJN-KBIXCLLPSA-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)
Ile-Glu-Ser (CHEBI:158400) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
9534913ChemSpider