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CHEBI:157845 - His-Met-Val

ChEBI IDCHEBI:157845
ChEBI NameHis-Met-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H27N5O4S
Net Charge0
Average Mass385.490
Monoisotopic Mass385.17838
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1cncn1)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C16H27N5O4S/c1-9(2)13(16(24)25)21-15(23)12(4-5-26-3)20-14(22)11(17)6-10-7-18-8-19-10/h7-9,11-13H,4-6,17H2,1-3H3,(H,18,19)(H,20,22)(H,21,23)(H,24,25)/t11-,12-,13-/m0/s1
InChIKeyWYSJPCTWSBJFCO-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-Val (CHEBI:157845) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-methylbutanoic acid