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-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
Accession: CHEBI:98837
browse the term
Definition: An isoquinoline that has formula C29H29N3O5.
Synonyms: related_synonym: Formula=C29H29N3O5; InChI=1S/C29H29N3O5/c33-17-26-28-24(13-22(36-26)14-27(34)32-11-9-18-4-1-2-5-20(18)16-32)23-12-21(7-8-25(23)37-28)31-29(35)19-6-3-10-30-15-19/h1-8,10,12,15,22,24,26,28,33H,9,11,13-14,16-17H2,(H,31,35)/t22-,24+,26+,28-/m0/s1; InChIKey=AAXDVORIQTTZBB-XABOBXATSA-N; SMILES=C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CN=CC=C6
xref: LINCS:LSM-10216
GViewer not supported for the selected species.
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
0
chemical entity
0
atom
0
nonmetal atom
0
nitrogen atom
0
nitrogen molecular entity
0
organonitrogen compound
0
organonitrogen heterocyclic compound
0
isoquinolines
0
N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
0
Path 2
CHEBI ontology
0
subatomic particle
0
composite particle
0
hadron
0
baryon
0
nucleon
0
atomic nucleus
0
atom
0
main group element atom
0
p-block element atom
0
carbon group element atom
0
carbon atom
0
organic molecular entity
0
organic molecule
0
organic cyclic compound
0
organic heterocyclic compound
0
organonitrogen heterocyclic compound
0
isoquinolines
0
N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
0