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: 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
Accession: CHEBI:100400
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Definition: An azamacrocycle that has formula C26H36F3N5O5.
Synonyms: related_synonym: Formula=C26H36F3N5O5; InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16-,22+/m1/s1; InChIKey=PCJFVZCPKBPEAR-MCFFVMPBSA-N; SMILES=C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F
xref: LINCS:LSM-11775
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19834
chemical entity
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molecular entity
19832
polyatomic entity
19790
molecule
19695
cyclic compound
19510
macrocycle
6264
azamacrocycle
18
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
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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
carbon group element atom
19730
carbon atom
19727
organic molecular entity
19727
organic group
18947
organic divalent group
18922
organodiyl group
18922
carbonyl group
18879
carbonyl compound
18879
carboxylic acid
18605
carboacyl group
17694
univalent carboacyl group
17694
carbamoyl group
17544
carboxamide
17544
lactam
8387
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
0