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CHEBI:158293 - Ile-Cys-Asn

ChEBI IDCHEBI:158293
ChEBI NameIle-Cys-Asn
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC13H24N4O5S
Net Charge0
Average Mass348.425
Monoisotopic Mass348.14674
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C13H24N4O5S/c1-3-6(2)10(15)12(20)17-8(5-23)11(19)16-7(13(21)22)4-9(14)18/h6-8,10,23H,3-5,15H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyFADXGVVLSPPEQY-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)
Ile-Cys-Asn (CHEBI:158293) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulanylpropanoyl]amino]-4-oxobutanoic acid