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CHEBI:86237 - ENPVVHFFKNIVTPRTP

ChEBI IDCHEBI:86237
ChEBI NameENPVVHFFKNIVTPRTP
Stars
DefinitionA linear seventeen-membered polypeptide comprising the sequence 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.
Last Modified15 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC93H144N26O23
Net Charge0
Average Mass1994.334
Monoisotopic Mass1993.08976
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](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/C93H144N26O23/c1-11-50(8)73(88(137)113-72(49(6)7)87(136)116-75(52(10)121)90(139)118-38-22-30-64(118)83(132)105-58(29-20-36-102-93(99)100)78(127)115-74(51(9)120)91(140)119-39-23-32-66(119)92(141)142)114-82(131)62(43-68(97)123)108-77(126)57(28-18-19-35-94)104-79(128)59(40-53-24-14-12-15-25-53)106-80(129)60(41-54-26-16-13-17-27-54)107-81(130)61(42-55-45-101-46-103-55)109-85(134)70(47(2)3)112-86(135)71(48(4)5)111-84(133)65-31-21-37-117(65)89(138)63(44-69(98)124)110-76(125)56(95)33-34-67(96)122/h12-17,24-27,45-52,56-66,70-75,120-121H,11,18-23,28-44,94-95H2,1-10H3,(H2,96,122)(H2,97,123)(H2,98,124)(H,101,103)(H,104,128)(H,105,132)(H,106,129)(H,107,130)(H,108,126)(H,109,134)(H,110,125)(H,111,133)(H,112,135)(H,113,137)(H,114,131)(H,115,127)(H,116,136)(H,141,142)(H4,99,100,102)/t50?,51?,52?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-,73-,74-,75-/m0/s1
InChIKeyVHTZLGUSJUMRPD-LOTBECKMSA-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)
ENPVVHFFKNIVTPRTP (CHEBI:86237) has role epitope (CHEBI:53000)
ENPVVHFFKNIVTPRTP (CHEBI:86237) is a polypeptide (CHEBI:15841)
IUPAC Name 
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
E N P V V H F F K N I V T P R T PJCBN
Glu-Asn-Pro-Val-Val-His-Phe-Phe-Lys-Asn-Ile-Val-Thr-Pro-Arg-Thr-ProJCBN
GluAsnProValValHisPhePheLysAsnIleValThrProArgThrProJCBN
Citations