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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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Term Annotations click to browse term
  CHEBI ontology 20849
    role 20820
      application 20622
        pro-agent 12353
          prodrug 12114
            rolitetracycline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20849
    subatomic particle 20847
      composite particle 20860
        hadron 20847
          baryon 20860
            nucleon 20847
              atomic nucleus 20847
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20565
                        hydrogen molecular entity 20549
                          hydrides 19684
                            organic hydride 19084
                              organic fundamental parent 19071
                                hydrocarbon 18736
                                  cyclic hydrocarbon 17326
                                    arene 17315
                                      polycyclic arene 17108
                                        ortho-fused polycyclic arene 9960
                                          acene 7855
                                            tetracene 7849
                                              tetracyclines 527
                                                rolitetracycline 0
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