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CHEBI:158299 - Ile-Cys-Gln

ChEBI IDCHEBI:158299
ChEBI NameIle-Cys-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N4O5S
Net Charge0
Average Mass362.452
Monoisotopic Mass362.16239
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H26N4O5S/c1-3-7(2)11(16)13(21)18-9(6-24)12(20)17-8(14(22)23)4-5-10(15)19/h7-9,11,24H,3-6,16H2,1-2H3,(H2,15,19)(H,17,20)(H,18,21)(H,22,23)/t7-,8-,9-,11-/m0/s1
InChIKeyFHCNLXMTQJNJNH-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-Cys-Gln (CHEBI:158299) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulanylpropanoyl]amino]-5-oxopentanoic acid