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-[(3S,9S,10R)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
Accession: CHEBI:129627
browse the term
Definition: An azamacrocycle that has formula C34H46ClN5O8S.
Synonyms: related_synonym: Formula=C34H46ClN5O8S; InChI=1S/C34H46ClN5O8S/c1-21-18-40(22(2)20-41)33(42)29-17-27(36-34(43)37-32-24(4)38-48-25(32)5)12-15-30(29)47-23(3)9-7-8-16-46-31(21)19-39(6)49(44,45)28-13-10-26(35)11-14-28/h10-15,17,21-23,31,41H,7-9,16,18-20H2,1-6H3,(H2,36,37,43)/t21-,22+,23+,31-/m1/s1; InChIKey=XQVZVPLVZQHPJK-WHIHJJIQSA-N; SMILES=C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl
xref: LINCS:LSM-41178
GViewer not supported for the selected species.
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
0
chemical entity
0
molecular entity
0
polyatomic entity
0
molecule
0
cyclic compound
0
macrocycle
0
azamacrocycle
0
1-[(3S,9S,10R)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
0
Path 2
CHEBI ontology
0
subatomic particle
0
composite particle
0
hadron
0
baryon
0
nucleon
0
atomic nucleus
0
atom
0
main group element atom
0
p-block element atom
0
carbon group element atom
0
carbon atom
0
organic molecular entity
0
heteroorganic entity
0
organochalcogen compound
0
organooxygen compound
0
carbon oxoacid
0
carboxylic acid
0
carboacyl group
0
univalent carboacyl group
0
carbamoyl group
0
carboxamide
0
lactam
0
1-[(3S,9S,10R)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
0