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CHEBI:159961 - Asn-Met-Asp

ChEBI IDCHEBI:159961
ChEBI NameAsn-Met-Asp
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC13H22N4O7S
Net Charge0
Average Mass378.407
Monoisotopic Mass378.12092
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H22N4O7S/c1-25-3-2-7(16-11(21)6(14)4-9(15)18)12(22)17-8(13(23)24)5-10(19)20/h6-8H,2-5,14H2,1H3,(H2,15,18)(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyMDDXKBHIMYYJLW-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-Asp (CHEBI:159961) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]butanedioic acid