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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;   DrugBank:DB00091;   Drug_Central:760;   KEGG:C05086;   KEGG:D00184;   KNApSAcK:C00001517;   LINCS:LSM-1703
 xref_mesh: MESH:D016572
 xref: 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;   Patent:US4117118;   Reaxys:3647785;   VSDB:1765;   Wikipedia:Ciclosporin


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      CHEBI ontology 19770
        role 19720
          biological role 19720
            biochemical role 19310
              metabolite 19292
                cyclosporin A 8301
                  cyclosporin A derivative + 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19770
        subatomic particle 19768
          composite particle 19768
            hadron 19768
              baryon 19768
                nucleon 19768
                  atomic nucleus 19768
                    atom 19768
                      main group element atom 19662
                        p-block element atom 19662
                          carbon group element atom 19580
                            carbon atom 19571
                              organic molecular entity 19571
                                organic group 18602
                                  organic divalent group 18593
                                    organodiyl group 18593
                                      carbonyl group 18506
                                        carbonyl compound 18506
                                          carboxylic acid 18158
                                            carboacyl group 17412
                                              univalent carboacyl group 17412
                                                carbamoyl group 17208
                                                  carboxamide 17208
                                                    peptide 9420
                                                      cyclic peptide 8741
                                                        homodetic cyclic peptide 8330
                                                          cyclosporin A 8301
                                                            cyclosporin A derivative + 0
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