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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 19662
    role 19606
      biological role 19604
        biochemical role 19133
          metabolite 19101
            cyclosporin A 8279
              cyclosporin A derivative 0
                cyclosporin A metabolite M1cAL 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic group 18340
                              organic divalent group 18330
                                organodiyl group 18330
                                  carbonyl group 18217
                                    carbonyl compound 18217
                                      carboxylic acid 17921
                                        carboacyl group 16944
                                          univalent carboacyl group 16944
                                            carbamoyl group 16623
                                              carboxamide 16623
                                                peptide 9295
                                                  cyclic peptide 8698
                                                    homodetic cyclic peptide 8308
                                                      cyclosporin A 8279
                                                        cyclosporin A derivative 0
                                                          cyclosporin A metabolite M17 0
                                                            cyclosporin A metabolite M18 0
                                                              cyclosporin A metabolite M1cAL 0
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