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CHEBI:160772 - Met-His-Asp

ChEBI IDCHEBI:160772
ChEBI NameMet-His-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23N5O6S
Net Charge0
Average Mass401.445
Monoisotopic Mass401.13690
SMILESCSCC[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C15H23N5O6S/c1-27-3-2-9(16)13(23)19-10(4-8-6-17-7-18-8)14(24)20-11(15(25)26)5-12(21)22/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
InChIKeyOBCRZLRPJFNLAN-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)
Met-His-Asp (CHEBI:160772) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid