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CHEBI:160592 - Met-Asp-Phe

ChEBI IDCHEBI:160592
ChEBI NameMet-Asp-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25N3O6S
Net Charge0
Average Mass411.480
Monoisotopic Mass411.14641
SMILESCSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H25N3O6S/c1-28-8-7-12(19)16(24)20-13(10-15(22)23)17(25)21-14(18(26)27)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H,20,24)(H,21,25)(H,22,23)(H,26,27)/t12-,13-,14-/m0/s1
InChIKeyXOMXAVJBLRROMC-IHRRRGAJSA-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-Asp-Phe (CHEBI:160592) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
57488831ChemSpider