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
Accession: CHEBI:95095
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
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
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
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