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CHEBI:159842 - Asn-Ile-Cys

ChEBI IDCHEBI:159842
ChEBI NameAsn-Ile-Cys
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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](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C13H24N4O5S/c1-3-6(2)10(12(20)16-8(5-23)13(21)22)17-11(19)7(14)4-9(15)18/h6-8,10,23H,3-5,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyFVKHEKVYFTZWDX-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)
Asn-Ile-Cys (CHEBI:159842) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-sulanylpropanoic acid