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CHEBI:157830 - His-Met-Met

ChEBI IDCHEBI:157830
ChEBI NameHis-Met-Met
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H27N5O4S2
Net Charge0
Average Mass417.557
Monoisotopic Mass417.15045
SMILESCSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C16H27N5O4S2/c1-26-5-3-12(15(23)21-13(16(24)25)4-6-27-2)20-14(22)11(17)7-10-8-18-9-19-10/h8-9,11-13H,3-7,17H2,1-2H3,(H,18,19)(H,20,22)(H,21,23)(H,24,25)/t11-,12-,13-/m0/s1
InChIKeyKQJBFMJFUXAYPK-AVGNSLFASA-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)
His-Met-Met (CHEBI:157830) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]-4-methylsulanylbutanoic acid