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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:(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
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Accession:CHEBI:95095 term browser browse the term
Definition:An epothilone that has formula C27H42N2O5S.
Synonyms:related_synonym: Formula=C27H42N2O5S;   InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/t15-,17+,20-,21-,22-,24-,27+/m0/s1;   InChIKey=FABUFPQFXZVHFB-DIZZFTFVSA-N;   SMILES=C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C
 xref: LINCS:LSM-6350



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Path 1
Term Annotations click to browse term
  CHEBI ontology 501
    chemical entity 501
      group 495
        inorganic group 442
          hydroxy group 423
            beta-hydroxy ketone 0
              epothilone 0
                (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            organic group 405
                              organic divalent group 404
                                organodiyl group 404
                                  carbonyl group 404
                                    carbonyl compound 404
                                      carboxylic ester 102
                                        lactone 44
                                          macrocyclic lactone 17
                                            macrolide 17
                                              epothilone 0
                                                (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione 0
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