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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:cyclosporin A
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Accession:CHEBI:4031 term browser browse the term
Definition:A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle.
Synonyms:exact_synonym: 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-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: (R-[R*,R*-(E)])-Cyclic(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl);   1,11-cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(E)-(2S,3R,4R)-2-amino-3-hydroxy-N,4-dimethyloct-6-enoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine];   30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;   Antibiotic S 7481F1;   Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-((3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl)-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methylleucyl);   Cyclosporine;   Formula=C62H111N11O12;   Gengraf;   InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42+,43-,44+,45-,46+,47+,49+,50-,51+,52-/m1/s1;   InChIKey=PMATZTZNYRCHOR-CGLBZJNRSA-N;   Neoral;   SMILES=CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\\C=C\\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C;   Sandimmune;   ciclosporin;   ciclosporina;   ciclosporine;   ciclosporinum
 alt_id: CHEBI:63586;   CHEBI:91802
 xref: Beilstein:3647785;   CAS:59865-13-3;   Chemspider:4447449;   DrugBank:DB00091;   Drug_Central:760;   HMDB:HMDB0250682;   KEGG:C05086;   KEGG:D00184;   KNApSAcK:C00001517;   LINCS:LSM-1703;   LIPID_MAPS_instance:LMPK14000003
 xref_mesh: MESH:D016572
 xref: MetaCyc:CPD-20532;   PMID:11058832;   PMID:11069928;   PMID:11079273;   PMID:11080188;   PMID:11238591;   PMID:11256490;   PMID:11278005;   PMID:11315347;   PMID:11370709;   PMID:11406057;   PMID:11426833;   PMID:11442023;   PMID:11481617;   PMID:11493684;   PMID:11529914;   PMID:11557554;   PMID:11564166;   PMID:11676831;   PMID:11870366;   PMID:12021257;   PMID:12050171;   PMID:12603598;   PMID:12761440;   PMID:12929192;   PMID:12950728;   PMID:14521916;   PMID:14621732;   PMID:14638917;   PMID:14672695;   PMID:14682659;   PMID:14743390;   PMID:15030555;   PMID:15175101;   PMID:15210365;   PMID:15306697;   PMID:15383526;   PMID:15541012;   PMID:15613074;   PMID:15626898;   PMID:15657176;   PMID:1566062;   PMID:15711594;   PMID:15811524;   PMID:15962181;   PMID:16372476;   PMID:16404634;   PMID:16724420;   PMID:16801218;   PMID:16898534;   PMID:17032751;   PMID:17083576;   PMID:17117422;   PMID:17192032;   PMID:17220244;   PMID:17229932;   PMID:17265451;   PMID:17446460;   PMID:17603747;   PMID:18076075;   PMID:18171316;   PMID:18191430;   PMID:18217899;   PMID:18259730;   PMID:18299432;   PMID:18359899;   PMID:18583716;   PMID:18597363;   PMID:18790203;   PMID:18818682;   PMID:18931077;   PMID:18975184;   PMID:19282398;   PMID:19589783;   PMID:21752960;   PMID:23620378;   PMID:24134630;   PMID:31144214;   PMID:34561200;   PMID:34561814;   Patent:US4117118;   Reaxys:3647785;   VSDB:1765;   Wikipedia:Ciclosporin


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  CHEBI ontology 495
    role 495
      biological role 495
        biochemical role 455
          metabolite 446
            cyclosporin A 0
              cyclosporin A derivative + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 495
    subatomic particle 495
      composite particle 495
        hadron 495
          baryon 495
            nucleon 495
              atomic nucleus 495
                atom 495
                  main group element atom 488
                    p-block element atom 488
                      carbon group element atom 477
                        carbon atom 476
                          organic molecular entity 476
                            heteroorganic entity 472
                              organochalcogen compound 426
                                organooxygen compound 424
                                  carbon oxoacid 365
                                    carboxylic acid 365
                                      carboacyl group 306
                                        univalent carboacyl group 306
                                          carbamoyl group 304
                                            carboxamide 304
                                              peptide 21
                                                cyclic peptide 4
                                                  homodetic cyclic peptide 2
                                                    cyclosporin A 0
                                                      cyclosporin A derivative + 0
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