EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86310 - ENPVVAFFKNIVTPRTP

ChEBI IDCHEBI:86310
ChEBI NameENPVVAFFKNIVTPRTP
Stars
DefinitionA linear seventeen-membered polypeptide comprising the sequence Glu-Asn-Pro-Val-Val-Ala-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 histidyl residue at position 88 replaced by alanyl [MBP83-99(A88)].
Last Modified15 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC90H142N24O23
Net Charge0
Average Mass1928.271
Monoisotopic Mass1927.06797
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](C)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/C90H142N24O23/c1-12-48(8)70(85(132)108-69(47(6)7)84(131)111-72(51(11)116)87(134)113-39-23-31-61(113)80(127)101-56(30-21-37-98-90(96)97)76(123)110-71(50(10)115)88(135)114-40-24-33-63(114)89(136)137)109-79(126)59(43-65(94)118)104-75(122)55(29-19-20-36-91)100-77(124)58(42-53-27-17-14-18-28-53)103-78(125)57(41-52-25-15-13-16-26-52)102-73(120)49(9)99-82(129)67(45(2)3)107-83(130)68(46(4)5)106-81(128)62-32-22-38-112(62)86(133)60(44-66(95)119)105-74(121)54(92)34-35-64(93)117/h13-18,25-28,45-51,54-63,67-72,115-116H,12,19-24,29-44,91-92H2,1-11H3,(H2,93,117)(H2,94,118)(H2,95,119)(H,99,129)(H,100,124)(H,101,127)(H,102,120)(H,103,125)(H,104,122)(H,105,121)(H,106,128)(H,107,130)(H,108,132)(H,109,126)(H,110,123)(H,111,131)(H,136,137)(H4,96,97,98)/t48?,49-,50?,51?,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,67-,68-,69-,70-,71-,72-/m0/s1
InChIKeyAOFWFUXCFMSGKM-NWLMNBIHSA-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)
ENPVVAFFKNIVTPRTP (CHEBI:86310) has role epitope (CHEBI:53000)
ENPVVAFFKNIVTPRTP (CHEBI:86310) is a polypeptide (CHEBI:15841)
IUPAC Name 
L-glutaminyl-L-asparaginyl-L-prolyl-L-valyl-L-valyl-L-alanyl-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 A F F K N I V T P R T PJCBN
Glu-Asn-Pro-Val-Val-Ala-Phe-Phe-Lys-Asn-Ile-Val-Thr-Pro-Arg-Thr-ProJCBN
GluAsnProValValAlaPhePheLysAsnIleValThrProArgThrProChEBI
Citations