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CHEBI:85092 - Lys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Ala

ChEBI IDCHEBI:85092
ChEBI NameLys-Thr-Trp-Gly-Lys-Asn-Leu-Val-Ala
Stars
DefinitionAn oligopeptide composed of L-lysine, L-threonine, L-tryptophan, glycine, L-asparagine, L-leucine, L-valine and L-alanine joined in sequence by peptide linkages; synthetic variant K9A of the yellow fever specific peptide epitope K9F.
Last Modified5 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC47H77N13O12
Net Charge0
Average Mass1016.212
Monoisotopic Mass1015.58146
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)C(=O)O)C(C)C
InChIInChI=1S/C47H77N13O12/c1-24(2)19-33(44(68)59-38(25(3)4)45(69)54-26(5)47(71)72)56-43(67)35(21-36(51)62)57-42(66)32(16-10-12-18-49)55-37(63)23-53-41(65)34(20-28-22-52-31-15-8-7-13-29(28)31)58-46(70)39(27(6)61)60-40(64)30(50)14-9-11-17-48/h7-8,13,15,22,24-27,30,32-35,38-39,52,61H,9-12,14,16-21,23,48-50H2,1-6H3,(H2,51,62)(H,53,65)(H,54,69)(H,55,63)(H,56,67)(H,57,66)(H,58,70)(H,59,68)(H,60,64)(H,71,72)/t26-,27?,30-,32-,33-,34-,35-,38-,39-/m0/s1
InChIKeyNMSQUFLLXVACSL-KKLOPKFRSA-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-Ala (CHEBI:85092) is a oligopeptide (CHEBI:25676)
IUPAC Name 
L-lysyl-L-threonyl-L-tryptophylglycyl-L-lysyl-L-asparaginyl-L-leucyl-L-valyl-L-alanine
Synonyms  Source
K9AChEBI
KTWGKNLVAJCBN
Citations