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Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE
A mimotope of the pyruvate dehydrogenase E2 component (PDC-E2) comprising a 2,5-bis(trifluoromethyl)benzoyl group linked to the lipoated PDC-E2 core dodecapeptide (DKATIGFEVQEE) at N-6 of lysine.


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03. Biological Effects of Specific Chemicals: mimotope [CHEBI:60218] > Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 mimotope [CHEBI:60218] (20) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 amide [CHEBI:32988] (1863) 
 primary amide [CHEBI:33256] (1586) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 lipopeptide [CHEBI:46895] (60) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 macromolecule [CHEBI:33839] (103) 
 polypeptide [CHEBI:15841] (46) 
 Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE [CHEBI:60224] (1)
ChEBI Compound Accession Identifier  [CHEBI:60224]
ChEBI Compound Description  A mimotope of the pyruvate dehydrogenase E2 component (PDC-E2) comprising a 2,5-bis(trifluoromethyl)benzoyl group linked to the lipoated PDC-E2 core dodecapeptide (DKATIGFEVQEE) at N-6 of lysine.
ChEBI Compound Identification Number  60224
ChEBI InChI Value  InChI=1S/C70H96F6N14O25/c1-8-33(4)55(89-67(113)56(35(6)91)90-57(103)34(5)80-59(105)41(83-64(110)47(30-53(101)102)81-36(7)92)16-12-13-27-78-58(104)39-29-38(69(71,72)73)17-18-40(39)70(74,75)76)65(111)79-31-49(94)82-46(28-37-14-10-9-11-15-37)63(109)85-44(21-25-51(97)98)62(108)88-54(32(2)3)66(112)86-42(19-23-48(77)93)60(106)84-43(20-24-50(95)96)61(107)87-45(68(114)115)22-26-52(99)100/h9-11,14-15,17-18,29,32-35,41-47,54-56,91H,8,12-13,16,19-28,30-31H2,1-7H3,(H2,77,93)(H,78,104)(H,79,111)(H,80,105)(H,81,92)(H,82,94)(H,83,110)(H,84,106)(H,85,109)(H,86,112)(H,87,107)(H,88,108)(H,89,113)(H,90,103)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,114,115)/t33-,34-,35+,41-,42-,43-,44-,45-,46-,47-,54-,55-,56-/m0/s1
ChEBI InChIKey Value  DQZZISACLUGLFF-WMGPPELQSA-N
ChEBI Compound Name  Ac-Asp-N(6)-[2,5-bis(trifluoromethyl)benzoyl]-KATIGFEVQEE
ChEBI SMILES Value  CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
ChEBI Substance ID  99364935
ChEBI URL  ChEBI:60224
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  DQZZISACLUGLFF_WMGPPELQSA_N_000_000000
PubChem Compound ID  46906064