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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:borrelidin
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Accession:CHEBI:78661 term browser browse the term
Definition:A macrolide that is isolated from several Streptomyces species and displays antibiotic, antineoplastic and antimalarial properties.
Synonyms:exact_synonym: (1R,2R)-2-[(2R,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
 related_synonym: Formula=C28H43NO6;   InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25+,27+/m0/s1;   InChIKey=OJCKRNPLOZHAOU-JTHVHBRGSA-N;   SMILES=C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\\C(=C/C=C/C[C@@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N;   Treponemycin
 xref: CAS:7184-60-3;   KEGG:C15687
 xref_mesh: MESH:C005066
 xref: MetaCyc:CPD0-1348;   PMID:21343942;   PMID:21472957;   PMID:21678129;   PMID:22242825;   PMID:22313786;   PMID:22707527;   PMID:22822423;   PMID:22967236;   PMID:23488671;   PMID:24131731;   PMID:24155182;   PMID:24562907;   PMID:24778714;   PMID:24794971;   PMID:3680012;   Reaxys:5782155


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  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          borrelidin 0
Path 2
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  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
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        macrocyclic lactone 0
                                          macrolide 0
                                            borrelidin 0
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