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CHEBI:86306 - ENPVVHFFYNIVTPRTP

ChEBI IDCHEBI:86306
ChEBI NameENPVVHFFYNIVTPRTP
Stars
DefinitionA linear seventeen-membered polypeptide comprising the sequence Glu-Asn-Pro-Val-Val-His-Phe-Phe-Tyr-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 tyrosyl [MBP83-99(Y91)].
Last Modified15 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC96H141N25O24
Net Charge0
Average Mass2029.335
Monoisotopic Mass2028.05813
SMILESCCC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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](N)CCC(N)=O)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/C96H141N25O24/c1-11-51(8)76(91(140)115-75(50(6)7)90(139)118-78(53(10)123)93(142)120-38-20-27-67(120)86(135)106-60(26-18-36-104-96(101)102)80(129)117-77(52(9)122)94(143)121-39-21-29-69(121)95(144)145)116-85(134)65(44-71(99)126)110-83(132)63(42-56-30-32-58(124)33-31-56)108-81(130)61(40-54-22-14-12-15-23-54)107-82(131)62(41-55-24-16-13-17-25-55)109-84(133)64(43-57-46-103-47-105-57)111-88(137)73(48(2)3)114-89(138)74(49(4)5)113-87(136)68-28-19-37-119(68)92(141)66(45-72(100)127)112-79(128)59(97)34-35-70(98)125/h12-17,22-25,30-33,46-53,59-69,73-78,122-124H,11,18-21,26-29,34-45,97H2,1-10H3,(H2,98,125)(H2,99,126)(H2,100,127)(H,103,105)(H,106,135)(H,107,131)(H,108,130)(H,109,133)(H,110,132)(H,111,137)(H,112,128)(H,113,136)(H,114,138)(H,115,140)(H,116,134)(H,117,129)(H,118,139)(H,144,145)(H4,101,102,104)/t51?,52?,53?,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-,74-,75-,76-,77-,78-/m0/s1
InChIKeyLBDIQSJMOHJIEG-RAOSYMPNSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
ENPVVHFFYNIVTPRTP (CHEBI:86306) has role epitope (CHEBI:53000)
ENPVVHFFYNIVTPRTP (CHEBI:86306) is a polypeptide (CHEBI:15841)
IUPAC Name 
L-glutaminyl-L-asparaginyl-L-prolyl-L-valyl-L-valyl-L-histidyl-L-phenylalanyl-L-phenylalanyl-L-tyrosyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-arginyl-L-threonyl-L-proline
Synonyms  Source
E N P V V H F F Y N I V T P R T PJCBN
Glu-Asn-Pro-Val-Val-His-Phe-Phe-Tyr-Asn-Ile-Val-Thr-Pro-Arg-Thr-ProJCBN
GluAsnProValValHisPhePheTyrAsnIleValThrProArgThrProChEBI
Citations