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ONTOLOGY REPORT - ANNOTATIONS


Term:cyclosporin A metabolite M1cAL
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Accession:CHEBI:140176 term browser browse the term
Definition:A cyclosporin A derivative that is cyclosporin A metabolite M18 in which the 2-hydroxyethyl substituent of the dioxolane ring has been oxidised to give the corresponding aldehyde.
Synonyms:exact_synonym: {(4R,5R)-5-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-4-methyltetrahydrofuran-2-yl}acetaldehyde
 related_synonym: AM1cAL;   Formula=C62H109N11O13;   InChI=1S/C62H109N11O13/c1-24-43-58(81)67(17)32-48(75)68(18)44(27-33(2)3)55(78)66-49(37(10)11)61(84)69(19)45(28-34(4)5)54(77)63-40(15)53(76)64-41(16)57(80)70(20)46(29-35(6)7)59(82)71(21)47(30-36(8)9)60(83)72(22)50(38(12)13)62(85)73(23)51(56(79)65-43)52-39(14)31-42(86-52)25-26-74/h26,33-47,49-52H,24-25,27-32H2,1-23H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/t39-,40+,41-,42?,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1;   InChIKey=UFWMVNJLCHMUKS-JFGKHBSWSA-N;   M1cAL;   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](N(C)C(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(C)C)=O)CC(C)C)=O)C)C(C)C)=O)C)[C@]2([C@H](C)CC(O2)(CC=O)[H])[H];   cyclosporin A metabolite AM1cAL;   cyclosporin metabolite AM1cAL;   cyclosporin metabolite M1cAL;   cyclosporine A metabolite AM1cAL;   cyclosporine A metabolite M1cAL;   cyclosporine metabolite AM1cAL;   cyclosporine metabolite M1cAL
 xref: PMID:8745344 "Europe PMC";   PMID:8782089 "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 M1cAL 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 M17 0
                                                            cyclosporin A metabolite M18 0
                                                              cyclosporin A metabolite M1cAL 0
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