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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 22194
    role 22179
      application 21760
        pro-agent 11502
          prodrug 11238
            rolitetracycline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    main group molecular entity 22120
                      s-block molecular entity 21717
                        hydrogen molecular entity 21634
                          hydrides 20777
                            organic hydride 20333
                              organic fundamental parent 20333
                                hydrocarbon 19911
                                  cyclic hydrocarbon 17957
                                    arene 17936
                                      polycyclic arene 17728
                                        ortho-fused polycyclic arene 10041
                                          acene 7901
                                            tetracene 7898
                                              tetracyclines 529
                                                rolitetracycline 0
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