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-[(3S,6aS,8R,10aS)-3-hydroxy-1-(1,3-thiazol-2-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide
Accession: CHEBI:97208
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Definition: An organochlorine compound that has formula C22H28ClN3O4S.
Synonyms: related_synonym: Formula=C22H28ClN3O4S; InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17+,19-,20+/m0/s1; InChIKey=VRNJYJIECLSBHX-KVPLUYHFSA-N; SMILES=C1C[C@H]2[C@@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)NCC4=CC=CC=C4Cl
xref: LINCS:LSM-8587
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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molecular entity
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main group molecular entity
19779
p-block molecular entity
19779
halogen molecular entity
18651
chlorine molecular entity
18460
organochlorine compound
18307
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(1,3-thiazol-2-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide
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Path 2
CHEBI ontology
19831
subatomic particle
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composite particle
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hadron
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baryon
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nucleon
19829
atomic nucleus
19829
atom
19829
main group element atom
19779
p-block element atom
19779
p-block molecular entity
19779
carbon group molecular entity
19728
organic molecular entity
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heteroorganic entity
19477
organohalogen compound
18507
organochlorine compound
18307
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(1,3-thiazol-2-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide
0