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CHEBI:158381 - Ala-Met-Ile

ChEBI IDCHEBI:158381
ChEBI NameAla-Met-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O4S
Net Charge0
Average Mass333.454
Monoisotopic Mass333.17223
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C14H27N3O4S/c1-5-8(2)11(14(20)21)17-13(19)10(6-7-22-4)16-12(18)9(3)15/h8-11H,5-7,15H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t8-,9-,10-,11-/m0/s1
InChIKeyIHRGVZXPTIQNIP-NAKRPEOUSA-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-Met-Ile (CHEBI:158381) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-methylpentanoic acid