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-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
Accession: CHEBI:101771
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Definition: A sulfonamide that has formula C23H28N2O7S.
Synonyms: related_synonym: Formula=C23H28N2O7S; InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21-,23-/m0/s1; InChIKey=GQLDDSCVBIFPRR-RZNKLVQRSA-N; SMILES=COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4
xref: LINCS:LSM-13133
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
26503
chemical entity
26483
atom
26479
nonmetal atom
25741
sulfur atom
20393
sulfur molecular entity
20393
organosulfur compound
19876
sulfonamide
5335
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
0
Path 2
CHEBI ontology
26503
subatomic particle
26479
composite particle
26479
hadron
26479
baryon
26479
nucleon
26479
atomic nucleus
26479
atom
26479
main group element atom
26216
p-block element atom
26216
chalcogen
25125
oxygen atom
24932
oxygen molecular entity
24932
hydroxides
24116
oxoacid
23051
chalcogen oxoacid
14562
sulfur oxoacid
14312
sulfonic acid
12032
sulfonic acid derivative
12032
sulfonamide
5335
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
0