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CHEBI:86304 - KGKGKGKGKGENPVVHFFFNIVTPRTP

ChEBI IDCHEBI:86304
ChEBI NameKGKGKGKGKGENPVVHFFFNIVTPRTP
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-Phe-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 lysyl residue at position 91 replaced by phenylalanyl [MBP83-99(F91)] and with an (L-lysylglycyl)5 [(KG5)] linker attached to the glutamine83 (E83) residue.
Last Modified15 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC136H216N40O33
Net Charge0
Average Mass2939.471
Monoisotopic Mass2937.64535
SMILESCCC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)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/C136H216N40O33/c1-11-77(8)111(131(204)170-110(76(6)7)130(203)173-113(79(10)178)133(206)175-59-33-47-97(175)126(199)161-89(46-31-57-149-136(146)147)120(193)172-112(78(9)177)134(207)176-60-34-49-99(176)135(208)209)171-125(198)95(65-101(144)180)165-123(196)93(63-82-39-19-14-20-40-82)163-121(194)91(61-80-35-15-12-16-36-80)162-122(195)92(62-81-37-17-13-18-38-81)164-124(197)94(64-83-67-148-73-155-83)166-128(201)108(74(2)3)169-129(202)109(75(4)5)168-127(200)98-48-32-58-174(98)132(205)96(66-102(145)181)167-119(192)90(50-51-100(143)179)160-107(186)72-154-118(191)88(45-25-30-56-141)159-106(185)71-153-117(190)87(44-24-29-55-140)158-105(184)70-152-116(189)86(43-23-28-54-139)157-104(183)69-151-115(188)85(42-22-27-53-138)156-103(182)68-150-114(187)84(142)41-21-26-52-137/h12-20,35-40,67,73-79,84-99,108-113,177-178H,11,21-34,41-66,68-72,137-142H2,1-10H3,(H2,143,179)(H2,144,180)(H2,145,181)(H,148,155)(H,150,187)(H,151,188)(H,152,189)(H,153,190)(H,154,191)(H,156,182)(H,157,183)(H,158,184)(H,159,185)(H,160,186)(H,161,199)(H,162,195)(H,163,194)(H,164,197)(H,165,196)(H,166,201)(H,167,192)(H,168,200)(H,169,202)(H,170,204)(H,171,198)(H,172,193)(H,173,203)(H,208,209)(H4,146,147,149)/t77?,78?,79?,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,108-,109-,110-,111-,112-,113-/m0/s1
InChIKeyQKURSQBUPQLMNY-CJTSCOMOSA-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)
KGKGKGKGKGENPVVHFFFNIVTPRTP (CHEBI:86304) 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-phenylalanyl-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 F N I V T P R T PJCBN
[KG]5-ENPVVHFFFNIVTPRTPChEBI
Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Glu-Asn-Pro-Val-Val-His-Phe-Phe-Phe-Asn-Ile-Val-Thr-Pro-Arg-Thr-ProJCBN
LysGlyLysGlyLysGlyLysGlyLysGlyGluAsnProValValHisPhePhePheAsnIleValThrProArgThrProChEBI
Citations