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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Lys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Phe
ChEBI ID CHEBI:85088
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C53H81N13O12
Net Charge 0
Average Mass 1092.29010
Monoisotopic Mass 1091.61277
InChI InChI=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
InChIKey WHBUXTUEHGNOOE-LLSUIQEISA-N
SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
K9F ChEBI
KTWGKNLVF JCBN
Citation Waiting for Citations Type Source
25674793 PubMed citation Europe PMC
Last Modified
05 March 2015