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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:rolitetracycline
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Accession:CHEBI:63334 term browser browse the term
Definition:A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group.
Synonyms:exact_synonym: (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(pyrrolidin-1-ylmethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
 related_synonym: Formula=C27H33N3O8;   InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,31,33-34,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,20-,26+,27-/m0/s1;   InChIKey=HMEYVGGHISAPJR-IAHYZSEUSA-N;   N-(1-Pyrrolidinylmethyl)-tetracycline;   N-(Pyrrolidinomethyl)tetracycline;   Pyrrolidino-methyl-tetracycline;   Reverin;   SMILES=[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C;   Synterin;   rolitetraciclina;   rolitetracyclinum
 xref: CAS:751-97-3;   DrugBank:DB01301;   Drug_Central:2399;   KEGG:D02282;   PMID:1650428;   Patent:US3104240;   Reaxys:73191;   Wikipedia:Rolitetracycline



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19810
      application 19679
        pro-agent 11524
          prodrug 11285
            rolitetracycline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19782
                    main group molecular entity 19806
                      s-block molecular entity 19616
                        hydrogen molecular entity 19596
                          hydrides 19108
                            organic hydride 18699
                              organic fundamental parent 18678
                                hydrocarbon 18426
                                  cyclic hydrocarbon 17236
                                    arene 17203
                                      polycyclic arene 17029
                                        ortho-fused polycyclic arene 9841
                                          acene 7785
                                            tetracene 7782
                                              tetracyclines 509
                                                rolitetracycline 0
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