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CHEBI:85088 - Lys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Phe

ChEBI IDCHEBI:85088
ChEBI NameLys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Phe
Stars
DefinitionAn oligopeptide composed of L-lysine, L-threonine, L-tryptophan, glycine, L-asparagine, L-leucine, L-valine and L-phenylalanine joined in sequence by peptide linkages; corresponds to the sequence in the yellow feverspecific peptide epitope K9F.
Last Modified5 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC53H81N13O12
Net Charge0
Average Mass1092.310
Monoisotopic Mass1091.61277
SMILESCC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
InChIInChI=1S/C53H81N13O12/c1-29(2)23-38(50(74)65-44(30(3)4)51(75)64-41(53(77)78)24-32-15-7-6-8-16-32)61-49(73)40(26-42(57)68)62-48(72)37(20-12-14-22-55)60-43(69)28-59-47(71)39(25-33-27-58-36-19-10-9-17-34(33)36)63-52(76)45(31(5)67)66-46(70)35(56)18-11-13-21-54/h6-10,15-17,19,27,29-31,35,37-41,44-45,58,67H,11-14,18,20-26,28,54-56H2,1-5H3,(H2,57,68)(H,59,71)(H,60,69)(H,61,73)(H,62,72)(H,63,76)(H,64,75)(H,65,74)(H,66,70)(H,77,78)/t31?,35-,37-,38-,39-,40-,41-,44-,45-/m0/s1
InChIKeyWHBUXTUEHGNOOE-LLSUIQEISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
Lys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Phe (CHEBI:85088) has role epitope (CHEBI:53000)
Lys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Phe (CHEBI:85088) is a oligopeptide (CHEBI:25676)
IUPAC Name 
L-lysyl-L-threonyl-L-tryptophylglycyl-L-lysyl-L-asparaginyl-L-leucyl-L-valyl-L-phenylalanine
Synonyms  Source
K9FChEBI
KTWGKNLVFJCBN
Citations