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CHEBI:86233 - KGKGKGKGKGENPVVHFFKNIVTPRTP

ChEBI IDCHEBI:86233
ChEBI NameKGKGKGKGKGENPVVHFFKNIVTPRTP
Stars
DefinitionA linear 27-membered polypeptide comprising the sequence Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Glu-Asn-Pro-Val-Val-His-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 an (L-lysylglycyl)5 [(KG5)] linker attached to the glutamine83 (E83) residue.
Last Modified15 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC133H219N41O33
Net Charge0
Average Mass2920.469
Monoisotopic Mass2918.67190
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](Cc1cncn1)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/C133H219N41O33/c1-11-75(8)108(128(202)168-107(74(6)7)127(201)171-110(77(10)176)130(204)173-58-32-45-94(173)123(197)160-87(44-30-56-147-133(144)145)118(192)170-109(76(9)175)131(205)174-59-33-47-96(174)132(206)207)169-122(196)92(63-98(142)178)163-116(190)86(43-23-29-55-139)159-119(193)89(60-78-34-14-12-15-35-78)161-120(194)90(61-79-36-16-13-17-37-79)162-121(195)91(62-80-65-146-71-153-80)164-125(199)105(72(2)3)167-126(200)106(73(4)5)166-124(198)95-46-31-57-172(95)129(203)93(64-99(143)179)165-117(191)88(48-49-97(141)177)158-104(184)70-152-115(189)85(42-22-28-54-138)157-103(183)69-151-114(188)84(41-21-27-53-137)156-102(182)68-150-113(187)83(40-20-26-52-136)155-101(181)67-149-112(186)82(39-19-25-51-135)154-100(180)66-148-111(185)81(140)38-18-24-50-134/h12-17,34-37,65,71-77,81-96,105-110,175-176H,11,18-33,38-64,66-70,134-140H2,1-10H3,(H2,141,177)(H2,142,178)(H2,143,179)(H,146,153)(H,148,185)(H,149,186)(H,150,187)(H,151,188)(H,152,189)(H,154,180)(H,155,181)(H,156,182)(H,157,183)(H,158,184)(H,159,193)(H,160,197)(H,161,194)(H,162,195)(H,163,190)(H,164,199)(H,165,191)(H,166,198)(H,167,200)(H,168,202)(H,169,196)(H,170,192)(H,171,201)(H,206,207)(H4,144,145,147)/t75?,76?,77?,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,105-,106-,107-,108-,109-,110-/m0/s1
InChIKeyVPALZPMBPGVNNR-KPCMZALCSA-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)
KGKGKGKGKGENPVVHFFKNIVTPRTP (CHEBI:86233) 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-histidyl-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 H F F K N I V T P R T PJCBN
[KG]5-ENPVVHFFKNIVTPRTPChEBI
Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Glu-Asn-Pro-Val-Val-His-Phe-Phe-Lys-Asn-Ile-Val-Thr-Pro-Arg-Thr-ProJCBN
LysGlyLysGlyLysGlyLysGlyLysGlyGluAsnProValValHisPhePheLysAsnIleValThrProArgThrProChEBI
Citations