EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84102 - Phe-Tyr-Asp

ChEBI IDCHEBI:84102
ChEBI NamePhe-Tyr-Asp
Stars
DefinitionA tripeptide composed of L-phenylalanine, L-tyrosine and L-aspartic acid joined by peptide linkages.
Last Modified16 December 2014
Submitternamrata
DownloadsMolfile
FormulaC22H25N3O7
Net Charge0
Average Mass443.456
Monoisotopic Mass443.16925
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C22H25N3O7/c23-16(10-13-4-2-1-3-5-13)20(29)24-17(11-14-6-8-15(26)9-7-14)21(30)25-18(22(31)32)12-19(27)28/h1-9,16-18,26H,10-12,23H2,(H,24,29)(H,25,30)(H,27,28)(H,31,32)/t16-,17-,18-/m0/s1
InChIKeyBAONJAHBAUDJKA-BZSNNMDCSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
Phe-Tyr-Asp (CHEBI:84102) has functional parent L-aspartic acid (CHEBI:17053)
Phe-Tyr-Asp (CHEBI:84102) has functional parent L-phenylalanine (CHEBI:17295)
Phe-Tyr-Asp (CHEBI:84102) has functional parent L-tyrosine (CHEBI:17895)
Phe-Tyr-Asp (CHEBI:84102) has role human urinary metabolite (CHEBI:84087)
Phe-Tyr-Asp (CHEBI:84102) is a tripeptide (CHEBI:47923)
IUPAC Name 
L-phenylalanyl-L-tyrosyl-L-aspartic acid