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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:(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
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Accession:CHEBI:94722 term browser browse the term
Definition:An epothilone that has formula C26H39NO6S.
Synonyms:related_synonym: Formula=C26H39NO6S;   InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/t14-,16+,19+,20-,21-,22-,24-/m0/s1;   InChIKey=HESCAJZNRMSMJG-BCAXZHDFSA-N;   SMILES=C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C
 xref: LINCS:LSM-5798

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Path 1
Term Annotations click to browse term
  CHEBI ontology 21549
    chemical entity 21547
      group 21405
        inorganic group 20207
          hydroxy group 20121
            beta-hydroxy ketone 82
              epothilone 5
                (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21549
    subatomic particle 21534
      composite particle 21534
        hadron 21534
          baryon 21534
            nucleon 21534
              atomic nucleus 21534
                atom 21534
                  main group element atom 21437
                    p-block element atom 21437
                      carbon group element atom 21227
                        carbon atom 21124
                          organic molecular entity 21124
                            organic group 19557
                              organic divalent group 19547
                                organodiyl group 19547
                                  carbonyl group 19528
                                    carbonyl compound 19528
                                      carboxylic ester 14692
                                        lactone 6048
                                          macrocyclic lactone 1755
                                            macrolide 1622
                                              epothilone 5
                                                (1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione 0
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