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
Accession: CHEBI:94722
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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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Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
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chemical entity
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group
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inorganic group
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hydroxy group
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beta-hydroxy ketone
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epothilone
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(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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Path 2
CHEBI ontology
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subatomic particle
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composite particle
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hadron
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baryon
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nucleon
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atomic nucleus
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atom
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main group element atom
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p-block element atom
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carbon group element atom
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carbon atom
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organic molecular entity
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heteroorganic entity
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organochalcogen compound
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organooxygen compound
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ester
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carboxylic ester
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lactone
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macrocyclic lactone
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macrolide
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epothilone
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(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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