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CHEBI:158070 - Ala-Cys-Ile

ChEBI IDCHEBI:158070
ChEBI NameAla-Cys-Ile
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](CS)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C12H23N3O4S/c1-4-6(2)9(12(18)19)15-11(17)8(5-20)14-10(16)7(3)13/h6-9,20H,4-5,13H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)/t6-,7-,8-,9-/m0/s1
InChIKeyNJIFPLAJSVUQOZ-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-Cys-Ile (CHEBI:158070) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylpentanoic acid