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CHEBI:158369 - Ala-Met-Asp

ChEBI IDCHEBI:158369
ChEBI NameAla-Met-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6S
Net Charge0
Average Mass335.382
Monoisotopic Mass335.11511
SMILESCSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H21N3O6S/c1-6(13)10(18)14-7(3-4-22-2)11(19)15-8(12(20)21)5-9(16)17/h6-8H,3-5,13H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyVHEVVUZDDUCAKU-FXQIFTODSA-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-Asp (CHEBI:158369) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylsulanylbutanoyl]amino]butanedioic acid