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CHEBI:158360 - Ile-Gln-Ser

ChEBI IDCHEBI:158360
ChEBI NameIle-Gln-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N4O6
Net Charge0
Average Mass346.384
Monoisotopic Mass346.18523
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C14H26N4O6/c1-3-7(2)11(16)13(22)17-8(4-5-10(15)20)12(21)18-9(6-19)14(23)24/h7-9,11,19H,3-6,16H2,1-2H3,(H2,15,20)(H,17,22)(H,18,21)(H,23,24)/t7-,8-,9-,11-/m0/s1
InChIKeyYBJWJQQBWRARLT-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-Gln-Ser (CHEBI:158360) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
Manual XrefsDatabases
9477387ChemSpider