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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: 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 26568
        role 26394
          biological role 26373
            biochemical role 25602
              metabolite 25544
                cyclosporin A 8820
                  cyclosporin A derivative + 0
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      CHEBI ontology 26568
        subatomic particle 26544
          composite particle 26544
            hadron 26544
              baryon 26544
                nucleon 26544
                  atomic nucleus 26544
                    atom 26544
                      main group element atom 26293
                        p-block element atom 26293
                          carbon group element atom 25745
                            carbon atom 25707
                              organic molecular entity 25707
                                heteroorganic entity 25046
                                  organochalcogen compound 24643
                                    organooxygen compound 24241
                                      carbon oxoacid 22885
                                        carboxylic acid 22867
                                          carboacyl group 20089
                                            univalent carboacyl group 20089
                                              carbamoyl group 19604
                                                carboxamide 19604
                                                  peptide 11974
                                                    cyclic peptide 9391
                                                      homodetic cyclic peptide 8857
                                                        cyclosporin A 8820
                                                          cyclosporin A derivative + 0
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