Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   


Term:cyclosporin A metabolite M9
go back to main search page
Accession:CHEBI:140164 term browser browse the term
Definition:A cyclosporin A derivative that is cyclosporin A in which the N-methylleucine residues at positions 6 and 9 have both undergone oxidation by hydroxylation at the carbon bearing the two methyl groups, and in which while the N-methylleucine residue at position 4 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]-9,18-bis(2-hydroxy-2-methylpropyl)-6,24-diisobutyl-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: AM4N69;   Formula=C61H109N11O14;   InChI=1S/C61H109N11O14/c1-24-26-27-37(11)49(74)48-53(78)65-40(25-2)55(80)67(18)32-45(73)64-41(28-33(3)4)51(76)66-46(35(7)8)58(83)69(20)43(30-60(14,15)85)52(77)62-38(12)50(75)63-39(13)54(79)70(21)44(31-61(16,17)86)57(82)68(19)42(29-34(5)6)56(81)71(22)47(36(9)10)59(84)72(48)23/h24,26,33-44,46-49,74,85-86H,25,27-32H2,1-23H3,(H,62,77)(H,63,75)(H,64,73)(H,65,78)(H,66,76)/b26-24+/t37-,38+,39-,40+,41+,42+,43+,44+,46+,47+,48+,49-/m1/s1;   InChIKey=WTDYXGYWROEPQE-FQYNWTTGSA-N;   M9;   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)=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 AM4N69;   cyclosporin metabolite AM4N69;   cyclosporin metabolite M9;   cyclosporine A metabolite AM4N69;   cyclosporine A metabolite M9;   cyclosporine metabolite AM4N69;   cyclosporine metabolite M9
 xref: PMID:12395977 "Europe PMC";   PMID:2642763 "Europe PMC"

show annotations for term's descendants       view all columns           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      biological role 19693
        biochemical role 19191
          metabolite 19162
            cyclosporin A 8280
              cyclosporin A derivative 0
                cyclosporin A metabolite M9 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic group 18426
                              organic divalent group 18418
                                organodiyl group 18418
                                  carbonyl group 18306
                                    carbonyl compound 18306
                                      carboxylic acid 17973
                                        carboacyl group 17082
                                          univalent carboacyl group 17082
                                            carbamoyl group 16811
                                              carboxamide 16811
                                                peptide 9323
                                                  cyclic peptide 8720
                                                    homodetic cyclic peptide 8310
                                                      cyclosporin A 8280
                                                        cyclosporin A derivative 0
                                                          cyclosporin A metabolite M1 0
                                                            cyclosporin A metabolite M16 0
                                                              cyclosporin A metabolite M9 0
paths to the root


RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.