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-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
Accession: CHEBI:100702
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Definition: An aromatic amide that has formula C29H36N4O6.
Synonyms: related_synonym: Formula=C29H36N4O6; InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24-,26+/m1/s1; InChIKey=XUZKWORPTAYLRR-NOOIUNMQSA-N; SMILES=CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5
xref: LINCS:LSM-12076
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
N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
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
N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
0