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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:methoxysuccinyl-Ala-Ala-Pro-Ala chloromethyl ketone
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Accession:CHEBI:83802 term browser browse the term
Definition:A tripeptide derived from methoxysuccinyl-Ala-Ala-Pro-Ala by conversion of the terminal carboxy group to the corresponding chloromethyl ketone.
Synonyms:exact_synonym: N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(2S)-4-chloro-3-oxobutan-2-yl]-L-prolinamide
 related_synonym: Elastase inhibitor II;   Formula=C20H31ClN4O7;   InChI=1S/C20H31ClN4O7/c1-11(15(26)10-21)23-19(30)14-6-5-9-25(14)20(31)13(3)24-18(29)12(2)22-16(27)7-8-17(28)32-4/h11-14H,5-10H2,1-4H3,(H,22,27)(H,23,30)(H,24,29)/t11-,12-,13-,14-/m0/s1;   InChIKey=UIYRKMRXXFXSTH-XUXIUFHCSA-N;   MSACK;   MeOSuc-AAPA-CMK;   MeOSuc-Ala-Ala-Pro-Ala-CH2Cl;   MeOSuc-Ala-Ala-Pro-Ala-CMK;   Methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone;   SMILES=COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)CCl
 xref: CAS:111682-13-4;   PMID:11742890;   PMID:1894649;   PMID:2911584;   Reaxys:18355293


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        fuel 11336
          methanol 3957
            methyl ester 3904
              methoxysuccinyl-Ala-Ala-Pro-Ala chloromethyl ketone 0
Path 2
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      carboacyl group 17675
                                        univalent carboacyl group 17675
                                          carbamoyl group 17524
                                            carboxamide 17547
                                              peptide 11120
                                                oligopeptide 1334
                                                  tripeptide 970
                                                    methoxysuccinyl-Ala-Ala-Pro-Ala chloromethyl ketone 0
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