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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:coumermycin A1
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Accession:CHEBI:3907 term browser browse the term
Definition:A hydroxycoumarin antibiotic that is obtained from Streptomyces rishiriensis and exhibits potent antibacterial and anticancer activity.
Synonyms:exact_synonym: (3-methyl-1H-pyrrole-2,4-diyl)bis[carbonylimino(4-hydroxy-8-methyl-2-oxo-2H-chromene-3,7-diyl)oxy(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2,4-diyl] bis(5-methyl-1H-pyrrole-2-carboxylate)
 related_synonym: Coumermycin;   Formula=C55H59N5O20;   InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1;   InChIKey=WTIJXIZOODAMJT-DHFGXMAYSA-N;   NSC 107412;   Notomycin;   Notomycin A1;   SMILES=CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc(C)[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C;   Sugordomycin D-1a;   coumamycine;   coumamycinum;   cumamicina
 xref: CAS:4434-05-3;   KEGG:C05073;   KEGG:D02333;   KNApSAcK:C00002461
 xref_mesh: MESH:C004628
 xref: PMID:23123663;   PMID:23652970;   PMID:24079980;   PMID:24692538;   Reaxys:5230975;   Wikipedia:Coumermycin_A1


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  CHEBI ontology 501
    role 501
      biological role 501
        antimicrobial agent 125
          coumermycin A1 0
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  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            organic molecule 471
                              organic cyclic compound 454
                                organic heterocyclic compound 417
                                  oxacycle 69
                                    benzopyran 28
                                      1-benzopyran 19
                                        chromenes 4
                                          chromenone 4
                                            coumarins 2
                                              coumermycin A1 0
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