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CHEBI:161718 - Phe-Met-Asp

ChEBI IDCHEBI:161718
ChEBI NamePhe-Met-Asp
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25N3O6S
Net Charge0
Average Mass411.480
Monoisotopic Mass411.14641
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C18H25N3O6S/c1-28-8-7-13(17(25)21-14(18(26)27)10-15(22)23)20-16(24)12(19)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
InChIKeyOAOLATANIHTNCZ-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)
Phe-Met-Asp (CHEBI:161718) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulanylbutanoyl]amino]butanedioic acid