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ONTOLOGY REPORT - ANNOTATIONS


Term:cyclosporin A metabolite M13
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Accession:CHEBI:140166 term browser browse the term
Definition:A cyclosporin A derivative that is cyclosporin A in which the residue-9 N-methylleucine moiety has undergone oxidation so as to introduce a hydroxy group at the carbon bearing the two methyl groups, while the residue-4 N-methylleucine moiety has undergone N-demethylation.
Synonyms:exact_synonym: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-9-(2-hydroxy-2-methylpropyl)-6,18,24-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
 related_synonym: AM4N9;   Formula=C61H109N11O13;   InChI=1S/C61H109N11O13/c1-24-26-27-38(13)50(74)49-54(78)65-41(25-2)56(80)67(18)32-46(73)64-42(28-33(3)4)52(76)66-47(36(9)10)59(83)68(19)43(29-34(5)6)53(77)62-39(14)51(75)63-40(15)55(79)70(21)45(31-61(16,17)85)58(82)69(20)44(30-35(7)8)57(81)71(22)48(37(11)12)60(84)72(49)23/h24,26,33-45,47-50,74,85H,25,27-32H2,1-23H3,(H,62,77)(H,63,75)(H,64,73)(H,65,78)(H,66,76)/b26-24+/t38-,39+,40-,41+,42+,43+,44+,45+,47+,48+,49+,50-/m1/s1;   InChIKey=MKDBJZSSZKCAQL-AKQVMVHGSA-N;   M13;   SMILES=[C@H]1(N(C([C@@H](N(C([C@@H](N(C)C([C@@H](N(C([C@H](NC([C@@H](NC([C@@H](N(C([C@@H](NC([C@@H](NC(CN(C([C@@H](NC1=O)CC)=O)C)=O)CC(C)C)=O)C(C)C)=O)C)CC(C)C)=O)C)=O)C)=O)C)CC(O)(C)C)=O)CC(C)C)=O)C)C(C)C)=O)C)[C@@H]([C@@H](C/C=C/C)C)O;   cyclosporin A metabolite AM4N9;   cyclosporin metabolite AM4N9;   cyclosporin metabolite M13;   cyclosporine A metabolite AM4N9;   cyclosporine A metabolite M13;   cyclosporine metabolite AM4N9;   cyclosporine metabolite M13
 xref: PMID:1362930 "Europe PMC";   PMID:14749552 "Europe PMC";   PMID:1521927 "Europe PMC";   PMID:3538573 "Europe PMC";   PMID:8745344 "Europe PMC";   PMID:9263386 "Europe PMC";   PMID:9629489 "Europe PMC"


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      biological role 19678
        biochemical role 19177
          metabolite 19147
            cyclosporin A 8280
              cyclosporin A derivative 0
                cyclosporin A metabolite M13 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        carboacyl group 17074
                                          univalent carboacyl group 17074
                                            carbamoyl group 16804
                                              carboxamide 16804
                                                peptide 9318
                                                  cyclic peptide 8718
                                                    homodetic cyclic peptide 8309
                                                      cyclosporin A 8280
                                                        cyclosporin A derivative 0
                                                          cyclosporin A metabolite M1 0
                                                            cyclosporin A metabolite M13 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.