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CHEBI:159956 - Asn-Met-Ala

ChEBI IDCHEBI:159956
ChEBI NameAsn-Met-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O5S
Net Charge0
Average Mass334.398
Monoisotopic Mass334.13109
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C12H22N4O5S/c1-6(12(20)21)15-11(19)8(3-4-22-2)16-10(18)7(13)5-9(14)17/h6-8H,3-5,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyQDXQWFBLUVTOFL-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)
Asn-Met-Ala (CHEBI:159956) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]propanoic acid