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CHEBI:86311 - KGKGKGKGKGENPVVAFFKNIVTPRTP

ChEBI IDCHEBI:86311
ChEBI NameKGKGKGKGKGENPVVAFFKNIVTPRTP
Stars
DefinitionA linear 27-membered polypeptide comprising the sequence Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Glu-Asn-Pro-Val-Val-Ala-Phe-Phe-Lys-Asn-Ile-Val-Thr-Pro-Arg-Thr-Pro. Corresponds to the sequence of the myelin basic protein 83-99 (MBP83-99) immunodominant epitope with the histidyl residue at position 88 replaced by alanyl [MBP83-99(A88)] and with an (L-lysylglycyl)5 [(KG5)] linker attached to the glutamine83 (E83) residue.
Last Modified15 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC130H217N39O33
Net Charge0
Average Mass2854.406
Monoisotopic Mass2852.65010
SMILESCCC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)O)C(C)O)C(C)C
InChIInChI=1S/C130H217N39O33/c1-12-73(8)105(125(197)163-104(72(6)7)124(196)166-107(76(11)171)127(199)168-59-33-46-91(168)120(192)156-85(45-31-57-143-130(141)142)116(188)165-106(75(10)170)128(200)169-60-34-48-93(169)129(201)202)164-119(191)89(63-95(139)173)159-114(186)84(44-24-30-56-136)155-117(189)88(62-78-37-17-14-18-38-78)158-118(190)87(61-77-35-15-13-16-36-77)157-108(180)74(9)149-122(194)102(70(2)3)162-123(195)103(71(4)5)161-121(193)92-47-32-58-167(92)126(198)90(64-96(140)174)160-115(187)86(49-50-94(138)172)154-101(179)69-148-113(185)83(43-23-29-55-135)153-100(178)68-147-112(184)82(42-22-28-54-134)152-99(177)67-146-111(183)81(41-21-27-53-133)151-98(176)66-145-110(182)80(40-20-26-52-132)150-97(175)65-144-109(181)79(137)39-19-25-51-131/h13-18,35-38,70-76,79-93,102-107,170-171H,12,19-34,39-69,131-137H2,1-11H3,(H2,138,172)(H2,139,173)(H2,140,174)(H,144,181)(H,145,182)(H,146,183)(H,147,184)(H,148,185)(H,149,194)(H,150,175)(H,151,176)(H,152,177)(H,153,178)(H,154,179)(H,155,189)(H,156,192)(H,157,180)(H,158,190)(H,159,186)(H,160,187)(H,161,193)(H,162,195)(H,163,197)(H,164,191)(H,165,188)(H,166,196)(H,201,202)(H4,141,142,143)/t73?,74-,75?,76?,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-,103-,104-,105-,106-,107-/m0/s1
InChIKeyIUSCJRPIOPRBRJ-GELIOPLUSA-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)
KGKGKGKGKGENPVVAFFKNIVTPRTP (CHEBI:86311) is a polypeptide (CHEBI:15841)
IUPAC Name 
L-lysylglycyl-L-lysylglycyl-L-lysylglycyl-L-lysylglycyl-L-lysylglycyl-L-glutaminyl-L-asparaginyl-L-prolyl-L-valyl-L-valyl-L-alanyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-arginyl-L-threonyl-L-proline
Synonyms  Source
K G K G K G K G K G E N P V V A F F K N I V T P R T PJCBN
[KG]5-ENPVVAFFKNIVTPRTPChEBI
Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Glu-Asn-Pro-Val-Val-Ala-Phe-Phe-Lys-Asn-Ile-Val-Thr-Pro-Arg-Thr-ProJCBN
LysGlyLysGlyLysGlyLysGlyLysGlyGluAsnProValValAlaPhePheLysAsnIleValThrProArgThrProChEBI
Citations