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CHEBI:86303 - ENPVVHFFFNIVTPRTP

ChEBI IDCHEBI:86303
ChEBI NameENPVVHFFFNIVTPRTP
Stars
DefinitionA linear seventeen-membered polypeptide comprising the sequence 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)].
Last Modified15 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC96H141N25O23
Net Charge0
Average Mass2013.336
Monoisotopic Mass2012.06322
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](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/C96H141N25O23/c1-11-52(8)76(91(139)115-75(51(6)7)90(138)118-78(54(10)123)93(141)120-39-23-32-67(120)86(134)106-60(31-21-37-104-96(101)102)80(128)117-77(53(9)122)94(142)121-40-24-34-69(121)95(143)144)116-85(133)65(45-71(99)125)110-83(131)63(43-57-29-19-14-20-30-57)108-81(129)61(41-55-25-15-12-16-26-55)107-82(130)62(42-56-27-17-13-18-28-56)109-84(132)64(44-58-47-103-48-105-58)111-88(136)73(49(2)3)114-89(137)74(50(4)5)113-87(135)68-33-22-38-119(68)92(140)66(46-72(100)126)112-79(127)59(97)35-36-70(98)124/h12-20,25-30,47-54,59-69,73-78,122-123H,11,21-24,31-46,97H2,1-10H3,(H2,98,124)(H2,99,125)(H2,100,126)(H,103,105)(H,106,134)(H,107,130)(H,108,129)(H,109,132)(H,110,131)(H,111,136)(H,112,127)(H,113,135)(H,114,137)(H,115,139)(H,116,133)(H,117,128)(H,118,138)(H,143,144)(H4,101,102,104)/t52?,53?,54?,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-,74-,75-,76-,77-,78-/m0/s1
InChIKeyFZRKSRCZWAASIW-MACYSQAKSA-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)
ENPVVHFFFNIVTPRTP (CHEBI:86303) has role epitope (CHEBI:53000)
ENPVVHFFFNIVTPRTP (CHEBI:86303) is a polypeptide (CHEBI:15841)
IUPAC Name 
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
E N P V V H F F F N I V T P R T PJCBN
Glu-Asn-Pro-Val-Val-His-Phe-Phe-Phe-Asn-Ile-Val-Thr-Pro-Arg-Thr-ProJCBN
GluAsnProValValHisPhePhePheAsnIleValThrProArgThrProChEBI
Citations