EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158251 - Ala-Ile-Cys

ChEBI IDCHEBI:158251
ChEBI NameAla-Ile-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O4S
Net Charge0
Average Mass305.400
Monoisotopic Mass305.14093
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C12H23N3O4S/c1-4-6(2)9(15-10(16)7(3)13)11(17)14-8(5-20)12(18)19/h6-9,20H,4-5,13H2,1-3H3,(H,14,17)(H,15,16)(H,18,19)/t6-,7-,8-,9-/m0/s1
InChIKeyFOHXUHGZZKETFI-JBDRJPRFSA-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)
Ala-Ile-Cys (CHEBI:158251) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-sulanylpropanoic acid