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CHEBI:161011 - Asp-Tyr-Met

ChEBI IDCHEBI:161011
ChEBI NameAsp-Tyr-Met
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC18H25N3O7S
Net Charge0
Average Mass427.479
Monoisotopic Mass427.14132
SMILESCSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C18H25N3O7S/c1-29-7-6-13(18(27)28)20-17(26)14(8-10-2-4-11(22)5-3-10)21-16(25)12(19)9-15(23)24/h2-5,12-14,22H,6-9,19H2,1H3,(H,20,26)(H,21,25)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1
InChIKeyWOKXEQLPBLLWHC-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-Tyr-Met (CHEBI:161011) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
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25054306ChemSpider