EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:158215 - Ile-Asn-Cys

ChEBI IDCHEBI:158215
ChEBI NameIle-Asn-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N4O5S
Net Charge0
Average Mass348.425
Monoisotopic Mass348.14674
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C13H24N4O5S/c1-3-6(2)10(15)12(20)16-7(4-9(14)18)11(19)17-8(5-23)13(21)22/h6-8,10,23H,3-5,15H2,1-2H3,(H2,14,18)(H,16,20)(H,17,19)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyRSDHVTMRXSABSV-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-Asn-Cys (CHEBI:158215) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-sulanylpropanoic acid