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CHEBI:160763 - Asp-Met-His

ChEBI IDCHEBI:160763
ChEBI NameAsp-Met-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23N5O6S
Net Charge0
Average Mass401.445
Monoisotopic Mass401.13690
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C15H23N5O6S/c1-27-3-2-10(19-13(23)9(16)5-12(21)22)14(24)20-11(15(25)26)4-8-6-17-7-18-8/h6-7,9-11H,2-5,16H2,1H3,(H,17,18)(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,11-/m0/s1
InChIKeyXFQOQUWGVCVYON-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)
Asp-Met-His (CHEBI:160763) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid