EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:160972 - Met-Phe-Asp

ChEBI IDCHEBI:160972
ChEBI NameMet-Phe-Asp
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](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C18H25N3O6S/c1-28-8-7-12(19)16(24)20-13(9-11-5-3-2-4-6-11)17(25)21-14(18(26)27)10-15(22)23/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
InChIKeyIILAGWCGKJSBGB-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-Phe-Asp (CHEBI:160972) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid