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)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
Accession: CHEBI:117592
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Definition: An aromatic amine that has formula C21H25F2N3O4S.
Synonyms: related_synonym: Formula=C21H25F2N3O4S; InChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17+,18-,19+/m1/s1; InChIKey=HLMLEGKKEQKEEG-HCXYKTFWSA-N; SMILES=C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@@H]1CC(=O)NC4=NC=CS4
xref: LINCS:LSM-29041
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
role
19818
application
19630
NMR chemical shift reference compound
17936
ammonia
17795
organic amino compound
17795
aromatic amine
15398
2-[(3R,6aR,8S,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
0
Path 2
CHEBI ontology
19811
subatomic particle
19809
composite particle
19809
hadron
19840
baryon
19809
nucleon
19809
atomic nucleus
19809
atom
19809
main group element atom
19759
main group molecular entity
19759
s-block molecular entity
19628
hydrogen molecular entity
19614
hydrides
19087
inorganic hydride
18091
pnictogen hydride
18080
nitrogen hydride
17987
azane
17796
ammonia
17795
organic amino compound
17795
aromatic amine
15398
2-[(3R,6aR,8S,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
0