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CHEBI:85096 - Lys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Val

ChEBI IDCHEBI:85096
ChEBI NameLys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Val
Stars
DefinitionAn oligopeptide composed of L-lysine, L-threonine, L-tryptophan, glycine, L-asparagine, L-leucine, L-valine and L-valine joined in sequence by peptide linkages; synthetic variant K9V of the yellow fever specific peptide epitope K9F.
Last Modified5 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC49H81N13O12
Net Charge0
Average Mass1044.266
Monoisotopic Mass1043.61277
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](C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C49H81N13O12/c1-25(2)20-34(46(70)60-39(26(3)4)47(71)61-40(27(5)6)49(73)74)57-45(69)36(22-37(53)64)58-44(68)33(17-11-13-19-51)56-38(65)24-55-43(67)35(21-29-23-54-32-16-9-8-14-30(29)32)59-48(72)41(28(7)63)62-42(66)31(52)15-10-12-18-50/h8-9,14,16,23,25-28,31,33-36,39-41,54,63H,10-13,15,17-22,24,50-52H2,1-7H3,(H2,53,64)(H,55,67)(H,56,65)(H,57,69)(H,58,68)(H,59,72)(H,60,70)(H,61,71)(H,62,66)(H,73,74)/t28?,31-,33-,34-,35-,36-,39-,40-,41-/m0/s1
InChIKeyMMZJKNVOVNOENQ-FUXXCHOISA-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)
Lys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Val (CHEBI:85096) is a oligopeptide (CHEBI:25676)
IUPAC Name 
L-lysyl-L-threonyl-L-tryptophylglycyl-L-lysyl-L-asparaginyl-L-leucyl-L-valyl-L-valine
Synonyms  Source
K9VChEBI
KTWGKNLVVJCBN
Citations