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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:Ac-Asp-N(6)-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-KATIGFEVQEE
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Accession:CHEBI:60237 term browser browse the term
Definition:A mimotope of the pyruvate dehydrogenase E2 component (PDC-E2) comprising a [(2E)-3-(3-nitrophenyl)prop-2-enoyl]- group linked to the lipoated PDC-E2 core dodecapeptide (DKATIGFEVQEE) at N-6 of lysine.
Synonyms:exact_synonym: N-acetyl-L-alpha-aspartyl-N(6)-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-L-lysyl-L-alanyl-L-threonyl-L-isoleucylglycyl-L-phenylalanyl-L-alpha-glutamyl-L-valyl-L-glutaminyl-L-alpha-glutamyl-L-glutamic acid
 related_synonym: Ac-Asp-N(6)-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-Lys-Ala-Thr-Ile-Gly-Phe-Glu-Val-Gln-Glu-Glu;   Formula=C70H99N15O27;   InChI=1S/C70H99N15O27/c1-8-36(4)58(83-69(108)59(38(6)86)84-60(99)37(5)74-61(100)43(77-66(105)49(33-56(97)98)75-39(7)87)19-12-13-30-72-51(89)26-20-41-17-14-18-42(31-41)85(111)112)67(106)73-34-52(90)76-48(32-40-15-10-9-11-16-40)65(104)79-46(23-28-54(93)94)64(103)82-57(35(2)3)68(107)80-44(21-25-50(71)88)62(101)78-45(22-27-53(91)92)63(102)81-47(70(109)110)24-29-55(95)96/h9-11,14-18,20,26,31,35-38,43-49,57-59,86H,8,12-13,19,21-25,27-30,32-34H2,1-7H3,(H2,71,88)(H,72,89)(H,73,106)(H,74,100)(H,75,87)(H,76,90)(H,77,105)(H,78,101)(H,79,104)(H,80,107)(H,81,102)(H,82,103)(H,83,108)(H,84,99)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,109,110)/b26-20+/t36-,37-,38+,43-,44-,45-,46-,47-,48-,49-,57-,58-,59-/m0/s1;   InChIKey=MZFSBOSHYSEBHY-OSOMGTRNSA-N;   SMILES=CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)\\C=C\\c1cccc(c1)[N+]([O-])=O)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
 xref: PMID:11509645


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  CHEBI ontology 0
    role 0
      biological role 0
        mimotope 0
          Ac-Asp-N(6)-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-KATIGFEVQEE 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              peptide 0
                                                polypeptide 0
                                                  Ac-Asp-N(6)-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-KATIGFEVQEE 0
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