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CHEBI:159971 - Asn-Met-His

ChEBI IDCHEBI:159971
ChEBI NameAsn-Met-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24N6O5S
Net Charge0
Average Mass400.461
Monoisotopic Mass400.15289
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C15H24N6O5S/c1-27-3-2-10(20-13(23)9(16)5-12(17)22)14(24)21-11(15(25)26)4-8-6-18-7-19-8/h6-7,9-11H,2-5,16H2,1H3,(H2,17,22)(H,18,19)(H,20,23)(H,21,24)(H,25,26)/t9-,10-,11-/m0/s1
InChIKeyVOKWBBBXJONREA-DCAQKATOSA-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-His (CHEBI:159971) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid