CHEBI:86312 - ENPAVHFFKNIVTPRTP

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ChEBI Name ENPAVHFFKNIVTPRTP
ChEBI ID CHEBI:86312
Definition A linear seventeen-membered polypeptide comprising the sequence Glu-Asn-Pro-Ala-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 the valyl residue at position 86 replaced by alanyl [MBP83-99(A86)].
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C91H140N26O23
Net Charge 0
Average Mass 1966.24570
Monoisotopic Mass 1965.05846
InChI InChI=1S/C91H140N26O23/c1-10-48(6)71(86(135)111-70(47(4)5)85(134)114-73(51(9)119)88(137)116-37-21-30-64(116)83(132)104-57(28-19-35-100-91(97)98)77(126)113-72(50(8)118)89(138)117-38-22-31-65(117)90(139)140)112-81(130)61(42-67(95)121)107-76(125)56(27-17-18-34-92)103-78(127)58(39-52-23-13-11-14-24-52)105-79(128)59(40-53-25-15-12-16-26-53)106-80(129)60(41-54-44-99-45-101-54)108-84(133)69(46(2)3)110-74(123)49(7)102-82(131)63-29-20-36-115(63)87(136)62(43-68(96)122)109-75(124)55(93)32-33-66(94)120/h11-16,23-26,44-51,55-65,69-73,118-119H,10,17-22,27-43,92-93H2,1-9H3,(H2,94,120)(H2,95,121)(H2,96,122)(H,99,101)(H,102,131)(H,103,127)(H,104,132)(H,105,128)(H,106,129)(H,107,125)(H,108,133)(H,109,124)(H,110,123)(H,111,135)(H,112,130)(H,113,126)(H,114,134)(H,139,140)(H4,97,98,100)/t48?,49-,50?,51?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,69-,70-,71-,72-,73-/m0/s1
InChIKey BMKXEMHSYYYJQD-DJNJOZNYSA-N
SMILES CCC(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](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)O)C(=O)N1CCC[C@H]1C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ENPAVHFFKNIVTPRTP (CHEBI:86312) has role epitope (CHEBI:53000)
ENPAVHFFKNIVTPRTP (CHEBI:86312) is a polypeptide (CHEBI:15841)
IUPAC Name
L-glutaminyl-L-asparaginyl-L-prolyl-L-alanyl-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 Sources
E N P A V H F F K N I V T P R T P JCBN
Glu-Asn-Pro-Ala-Val-His-Phe-Phe-Lys-Asn-Ile-Val-Thr-Pro-Arg-Thr-Pro JCBN
GluAsnProAlaValHisPhePheLysAsnIleValThrProArgThrPro ChEBI
Citation Waiting for Citations Type Source
26082772 PubMed citation Europe PMC
Last Modified
15 July 2015