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: 4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
Accession: CHEBI:111084
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Definition: An azamacrocycle that has formula C32H45F3N4O5.
Synonyms: related_synonym: Formula=C32H45F3N4O5; InChI=1S/C32H45F3N4O5/c1-22-18-39(23(2)21-40)31(42)27-17-26(37-30(41)10-13-32(33,34)35)8-9-28(27)44-24(3)7-5-6-16-43-29(22)20-38(4)19-25-11-14-36-15-12-25/h8-9,11-12,14-15,17,22-24,29,40H,5-7,10,13,16,18-21H2,1-4H3,(H,37,41)/t22-,23-,24+,29-/m1/s1; InChIKey=CWMFJYTZROJEEY-IDCDSMMUSA-N; SMILES=C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3
xref: LINCS:LSM-22527
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19841
chemical entity
19839
molecular entity
19839
polyatomic entity
19797
molecule
19701
cyclic compound
19516
macrocycle
7871
azamacrocycle
18
4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
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Path 2
CHEBI ontology
19841
subatomic particle
19839
composite particle
19839
hadron
19839
baryon
19839
nucleon
19839
atomic nucleus
19839
atom
19839
main group element atom
19789
p-block element atom
19789
carbon group element atom
19737
carbon atom
19733
organic molecular entity
19733
heteroorganic entity
19492
organochalcogen compound
19255
organooxygen compound
19172
carbon oxoacid
18641
carboxylic acid
18638
carboacyl group
17698
univalent carboacyl group
17698
carbamoyl group
17548
carboxamide
17548
lactam
8390
4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
0