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,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
Accession: CHEBI:130129
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Definition: An organochlorine compound that has formula C24H35ClN2O5.
Synonyms: related_synonym: Formula=C24H35ClN2O5; InChI=1S/C24H35ClN2O5/c25-19-3-1-17(2-4-19)12-26-24(29)11-21-5-6-22-23(32-21)16-31-15-20(28)14-27(22)13-18-7-9-30-10-8-18/h1-4,18,20-23,28H,5-16H2,(H,26,29)/t20-,21-,22-,23+/m1/s1; InChIKey=BAOGUHJCPJUNNL-ODAXIHTASA-N; SMILES=C1C[C@@H]2[C@H](COC[C@@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)Cl
xref: LINCS:LSM-41679
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
chemical entity
19840
molecular entity
19809
main group molecular entity
19759
p-block molecular entity
19759
halogen molecular entity
18659
chlorine molecular entity
18463
organochlorine compound
18279
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
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Path 2
CHEBI ontology
19811
subatomic particle
19809
composite particle
19809
hadron
19840
baryon
19809
nucleon
19809
atomic nucleus
19809
atom
19809
main group element atom
19759
p-block element atom
19759
p-block molecular entity
19759
carbon group molecular entity
19708
organic molecular entity
19705
heteroorganic entity
19459
organohalogen compound
18484
organochlorine compound
18279
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide
0