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-[(2S,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide
Accession: CHEBI:99997
browse the term
Definition: An organohalogen compound that has formula C30H36FN3O5.
Synonyms: related_synonym: Formula=C30H36FN3O5; InChI=1S/C30H36FN3O5/c1-34-25-12-11-23(16-28(35)32-17-19-6-3-2-4-7-19)39-27(25)18-38-26-13-10-22(15-24(26)30(34)37)33-29(36)20-8-5-9-21(31)14-20/h5,8-10,13-15,19,23,25,27H,2-4,6-7,11-12,16-18H2,1H3,(H,32,35)(H,33,36)/t23-,25-,27+/m0/s1; InChIKey=BSKZHQCAOYVBFU-SCTDOJESSA-N; SMILES=CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)CC(=O)NCC5CCCCC5
xref: LINCS:LSM-11376
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
polyatomic entity
19767
heteroatomic molecular entity
19723
halide
18642
organohalogen compound
18484
N-[(2S,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide
0
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
carbon group element atom
19708
carbon atom
19734
organic molecular entity
19705
heteroorganic entity
19459
organochalcogen compound
19222
organooxygen compound
19137
carbonyl compound
18858
N-[(2S,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide
0