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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:dutomycin
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Accession:CHEBI:171673 term browser browse the term
Definition:An anthracycline antibiotic of formula C44H54O17 isolated from Streptomyces species. It directly binds to the human serine protease inhibitor B6 (SERPINB6), inducing autophagy and apoptosis.
Synonyms:exact_synonym: (2R,3S,6S)-6-{[(1R,4aS,12aR)-3-acetyl-2,4a,6,12a-tetrahydroxy-9-methoxy-11-methyl-4,5,7,10-tetraoxo-1,4,4a,5,7,10,12,12a-octahydrotetracen-1-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 2,6-dideoxy-4-O-[(2Z,4R)-2,4-dimethylhept-2-enoyl]-3-C-methyl-alpha-L-xylo-hexopyranoside
 related_synonym: Formula=C44H54O17;   InChI=1S/C44H54O17/c1-10-11-18(2)14-19(3)41(52)61-39-23(7)58-29(17-42(39,8)53)59-26-12-13-28(57-22(26)6)60-40-36(49)31(21(5)45)37(50)44(55)38(51)32-24(16-43(40,44)54)20(4)30-33(35(32)48)25(46)15-27(56-9)34(30)47/h14-15,18,22-23,26,28-29,39-40,48-49,53-55H,10-13,16-17H2,1-9H3/b19-14-/t18-,22-,23+,26+,28+,29+,39-,40-,42-,43-,44-/m1/s1;   InChIKey=XLXKPBAXLAAHEN-WNMWLNICSA-N;   SMILES=CCCC(C)\\C=C(\\C)C(=O)OC1C(C)OC(CC1(C)O)OC1CCC(OC2C(O)=C(C(C)=O)C(=O)C3(O)C(=O)C4=C(O)C5=C(C(C)=C4CC23O)C(=O)C(OC)=CC5=O)OC1C
 xref: CAS:146663-67-4;   PMID:1490891;   PMID:27195476;   PMID:32474644;   PMID:33517652


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Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      biological role 19815
        biochemical role 19529
          autophagy inducer 2009
            dutomycin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbonyl compound 18898
                                    ketone 17187
                                      cyclic ketone 15703
                                        quinone 8648
                                          benzoquinones 784
                                            1,4-benzoquinones 781
                                              dutomycin 0
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