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-[(3R,6aS,8R,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
Accession: CHEBI:101547
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Definition: A sulfonamide that has formula C24H37N3O6S.
Synonyms: related_synonym: Formula=C24H37N3O6S; InChI=1S/C24H37N3O6S/c28-19-16-27(34(30,31)21-7-3-1-4-8-21)22-10-9-20(33-23(22)18-32-17-19)15-24(29)25-11-14-26-12-5-2-6-13-26/h1,3-4,7-8,19-20,22-23,28H,2,5-6,9-18H2,(H,25,29)/t19-,20-,22+,23-/m1/s1; InChIKey=BTHNBOLPOQRYCE-YXPKMTABSA-N; SMILES=C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC=CC=C4)O
xref: LINCS:LSM-12910
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
19832
nonmetal atom
19770
sulfur atom
17709
sulfur molecular entity
17709
organosulfur compound
17356
sulfonamide
5298
2-[(3R,6aS,8R,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
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Path 2
CHEBI ontology
19834
subatomic particle
19832
composite particle
19832
hadron
19832
baryon
19832
nucleon
19832
atomic nucleus
19832
atom
19832
main group element atom
19782
p-block element atom
19782
chalcogen
19537
oxygen atom
19511
oxygen molecular entity
19511
hydroxides
19321
oxoacid
18742
chalcogen oxoacid
13764
sulfur oxoacid
13552
sulfonic acid
11590
sulfonic acid derivative
11590
sulfonamide
5298
2-[(3R,6aS,8R,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
0