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: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
Accession: CHEBI:129564
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Definition: A (trifluoromethyl)benzene that has formula C27H33F3N2O4.
Synonyms: related_synonym: Formula=C27H33F3N2O4; InChI=1S/C27H33F3N2O4/c28-27(29,30)21-8-4-7-20(13-21)15-32-16-22(33)17-35-18-25-24(32)10-9-23(36-25)14-26(34)31-12-11-19-5-2-1-3-6-19/h1-8,13,22-25,33H,9-12,14-18H2,(H,31,34)/t22-,23+,24-,25+/m1/s1; InChIKey=OMSXRPOVUJZPFL-RCTAOEEJSA-N; SMILES=C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=CC=C4
xref: LINCS:LSM-41115
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19831
role
19807
application
19650
refrigerant
18245
tetrafluoromethane
6756
trifluoromethyl group
6756
(trifluoromethyl)benzenes
6756
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
0
Path 2
CHEBI ontology
19831
subatomic particle
19829
composite particle
19829
hadron
19829
baryon
19829
nucleon
19829
atomic nucleus
19829
atom
19829
main group element atom
19779
main group molecular entity
19779
s-block molecular entity
19617
hydrogen molecular entity
19604
hydrides
19102
organic hydride
18674
organic fundamental parent
18674
hydrocarbon
18410
halohydrocarbon
15496
haloalkane
12288
fluoroalkane
8088
fluoromethanes
6756
tetrafluoromethane
6756
trifluoromethyl group
6756
(trifluoromethyl)benzenes
6756
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
0