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CHEBI:165898 - Tyr-Met-Asp

ChEBI IDCHEBI:165898
ChEBI NameTyr-Met-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25N3O7S
Net Charge0
Average Mass427.479
Monoisotopic Mass427.14132
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C18H25N3O7S/c1-29-7-6-13(17(26)21-14(18(27)28)9-15(23)24)20-16(25)12(19)8-10-2-4-11(22)5-3-10/h2-5,12-14,22H,6-9,19H2,1H3,(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1
InChIKeyYSGAPESOXHFTQY-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)
Tyr-Met-Asp (CHEBI:165898) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]butanedioic acid