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-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
Accession: CHEBI:98624
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Definition: An aromatic amide that has formula C29H32N4O5S.
Synonyms: related_synonym: Formula=C29H32N4O5S; InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24+,26+/m1/s1; InChIKey=OJLJDVMGKDSXAU-DSBYRVASSA-N; SMILES=CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCC5=CC=NC=C5
xref: LINCS:LSM-10003
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
chemical entity
19840
atom
19809
nonmetal atom
19747
nitrogen atom
18962
nitrogen molecular entity
18934
amide
17755
aromatic amide
8430
2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)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
p-block element atom
19759
carbon group element atom
19708
carbon atom
19734
organic molecular entity
19705
organic molecule
19658
organic cyclic compound
19471
organic aromatic compound
19341
aromatic amide
8430
2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
0