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CHEBI:73440 - Asp-Trp-Trp-Val

ChEBI IDCHEBI:73440
ChEBI NameAsp-Trp-Trp-Val
Stars
DefinitionA tetrapeptide composed of L-aspartic acid, two L-tryptophan units and L-valine joined in sequence by peptide linkages.
Last Modified20 May 2013
Submittermwilliams
DownloadsMolfile
FormulaC31H36N6O7
Net Charge0
Average Mass604.664
Monoisotopic Mass604.26455
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C31H36N6O7/c1-16(2)27(31(43)44)37-30(42)25(12-18-15-34-23-10-6-4-8-20(18)23)36-29(41)24(35-28(40)21(32)13-26(38)39)11-17-14-33-22-9-5-3-7-19(17)22/h3-10,14-16,21,24-25,27,33-34H,11-13,32H2,1-2H3,(H,35,40)(H,36,41)(H,37,42)(H,38,39)(H,43,44)/t21-,24-,25-,27-/m0/s1
InChIKeyKBWLCLABEAMUIU-DJESZUOASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Asp-Trp-Trp-Val (CHEBI:73440) has functional parent L-aspartic acid (CHEBI:17053)
Asp-Trp-Trp-Val (CHEBI:73440) has functional parent L-tryptophan (CHEBI:16828)
Asp-Trp-Trp-Val (CHEBI:73440) has functional parent L-valine (CHEBI:16414)
Asp-Trp-Trp-Val (CHEBI:73440) has role metabolite (CHEBI:25212)
Asp-Trp-Trp-Val (CHEBI:73440) is a tetrapeptide (CHEBI:48030)
IUPAC Name 
L-α-aspartyl-L-tryptophyl-L-tryptophyl-L-valine
Synonyms  Source
D-W-W-VChEBI
L-Asp-L-Trp-L-Trp-L-ValChEBI
DWWVChEBI