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: N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
Accession: CHEBI:123800
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Definition: An aromatic amide that has formula C28H41F3N4O5.
Synonyms: related_synonym: Formula=C28H41F3N4O5; InChI=1S/C28H41F3N4O5/c1-18-15-35(19(2)17-36)26(38)14-20-13-22(32-25(37)11-12-28(29,30)31)9-10-23(20)40-24(18)16-34(3)27(39)33-21-7-5-4-6-8-21/h9-10,13,18-19,21,24,36H,4-8,11-12,14-17H2,1-3H3,(H,32,37)(H,33,39)/t18-,19+,24-/m1/s1; InChIKey=SIYNSFWIVHCLGM-YDIMBITNSA-N; SMILES=C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO
xref: LINCS:LSM-35242
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19831
chemical entity
19829
atom
19829
nonmetal atom
19767
nitrogen atom
18955
nitrogen molecular entity
18955
amide
17785
aromatic amide
8433
N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
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
p-block element atom
19779
carbon group element atom
19728
carbon atom
19724
organic molecular entity
19724
organic molecule
19677
organic cyclic compound
19490
organic aromatic compound
19359
aromatic amide
8433
N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
0