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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 874
    chemical entity 874
      group 837
        inorganic group 695
          hydroxy group 680
            beta-hydroxy ketone 0
              epothilone 0
                (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 874
    subatomic particle 859
      composite particle 859
        hadron 859
          baryon 859
            nucleon 859
              atomic nucleus 859
                atom 859
                  main group element atom 849
                    p-block element atom 846
                      carbon group element atom 822
                        carbon atom 821
                          organic molecular entity 821
                            organic group 391
                              organic divalent group 389
                                organodiyl group 389
                                  carbonyl group 388
                                    carbonyl compound 388
                                      carboxylic ester 234
                                        lactone 157
                                          macrocyclic lactone 99
                                            macrolide 99
                                              epothilone 0
                                                (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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