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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:aclacinomycin A
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Accession:CHEBI:74619 term browser browse the term
Definition:An anthracycline antibiotic that is produced by Streptomyces galilaeus and also has potent antineoplastic activity.
Synonyms:exact_synonym: methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
 related_synonym: Formula=C42H53NO15;   InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1;   InChIKey=USZYSDMBJDPRIF-SVEJIMAYSA-N;   MA 144-A1;   SMILES=CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC;   aclarubicin;   aclarubicina;   aclarubicine;   aclarubicinum
 xref: CAS:57576-44-0;   Drug_Central:80;   KEGG:C18638;   KEGG:D02756;   KEGG:G09914
 xref_mesh: MESH:D015250
 xref: MetaCyc:CPD-12960;   PMID:19626543;   PMID:19744710;   PMID:20047095;   PMID:20399885;   PMID:20855424;   PMID:21130493;   PMID:21939347;   PMID:22077238;   PMID:22082134;   PMID:22374527;   PMID:22493369;   PMID:23418619;   PMID:23432721;   PMID:23533247;   PMID:23537708;   PMID:23595277;   PMID:23602475;   PMID:23613979;   PMID:23616245;   PMID:23664707;   Reaxys:4901152;   Wikipedia:Aclarubicin
 cyclic_relationship: is_conjugate_base_of CHEBI:74353;   is_tautomer_of CHEBI:77980

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  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          aclacinomycin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        quinone 0
                                          acenoquinone 0
                                            tetracenequinones 0
                                              aklavinone 0
                                                aclacinomycin A 0
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