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CHEBI:160812 - Asp-Phe-Met

ChEBI IDCHEBI:160812
ChEBI NameAsp-Phe-Met
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC18H25N3O6S
Net Charge0
Average Mass411.480
Monoisotopic Mass411.14641
SMILESCSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C18H25N3O6S/c1-28-8-7-13(18(26)27)20-17(25)14(9-11-5-3-2-4-6-11)21-16(24)12(19)10-15(22)23/h2-6,12-14H,7-10,19H2,1H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t12-,13-,14-/m0/s1
InChIKeyLIQNMKIBMPEOOP-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)
Asp-Phe-Met (CHEBI:160812) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid