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CHEBI:160995 - Asp-Tyr-Cys

Default Structure
ChEBI IDCHEBI:160995
ChEBI NameAsp-Tyr-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21N3O7S
Net Charge0
Average Mass399.425
Monoisotopic Mass399.11002
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C16H21N3O7S/c17-10(6-13(21)22)14(23)18-11(5-8-1-3-9(20)4-2-8)15(24)19-12(7-27)16(25)26/h1-4,10-12,20,27H,5-7,17H2,(H,18,23)(H,19,24)(H,21,22)(H,25,26)/t10-,11-,12-/m0/s1
InChIKeyUXIPUCUHQBIQOS-SRVKXCTJSA-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-Cys (CHEBI:160995) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1R)-1-carboxy-2-sulanylethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid