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,4aS,9aR)-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]-2-methoxyacetamide
Accession: CHEBI:110459
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Definition: An isoquinoline that has formula C26H30N2O6.
Synonyms: related_synonym: Formula=C26H30N2O6; InChI=1S/C26H30N2O6/c1-32-15-24(30)27-18-6-7-22-20(10-18)21-11-19(33-23(14-29)26(21)34-22)12-25(31)28-9-8-16-4-2-3-5-17(16)13-28/h2-7,10,19,21,23,26,29H,8-9,11-15H2,1H3,(H,27,30)/t19-,21-,23+,26+/m0/s1; InChIKey=HQMAMEQBJJAPDJ-UAHYIAQRSA-N; SMILES=COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4
xref: LINCS:LSM-21906
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
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chemical entity
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atom
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nonmetal atom
19768
nitrogen atom
18958
nitrogen molecular entity
18958
organonitrogen compound
18807
organonitrogen heterocyclic compound
18150
isoquinolines
530
N-[(1R,3S,4aS,9aR)-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]-2-methoxyacetamide
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Path 2
CHEBI ontology
19832
subatomic particle
19830
composite particle
19830
hadron
19830
baryon
19830
nucleon
19830
atomic nucleus
19830
atom
19830
main group element atom
19780
p-block element atom
19780
carbon group element atom
19729
carbon atom
19725
organic molecular entity
19725
organic molecule
19678
organic cyclic compound
19491
organic heterocyclic compound
18854
organonitrogen heterocyclic compound
18150
isoquinolines
530
N-[(1R,3S,4aS,9aR)-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]-2-methoxyacetamide
0