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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-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
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Accession:CHEBI:96788 term browser browse the term
Definition:An azamacrocycle that has formula C24H36N6O5.
Synonyms:related_synonym: Formula=C24H36N6O5;   InChI=1S/C24H36N6O5/c1-17-12-30(18(2)15-31)23(32)6-5-11-29-13-20(26-27-29)16-35-22(17)14-28(3)24(33)25-19-7-9-21(34-4)10-8-19/h7-10,13,17-18,22,31H,5-6,11-12,14-16H2,1-4H3,(H,25,33)/t17-,18+,22-/m0/s1;   InChIKey=OFOUXQSPHPQRAF-SVMVAKDDSA-N;   SMILES=C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)OC)N=N2)[C@H](C)CO
 xref: LINCS:LSM-8167


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5067
    chemical entity 5067
      molecular entity 5066
        polyatomic entity 5046
          molecule 4889
            cyclic compound 4828
              macrocycle 310
                azamacrocycle 0
                  1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5067
    subatomic particle 5058
      composite particle 5058
        hadron 5058
          baryon 5058
            nucleon 5058
              atomic nucleus 5058
                atom 5058
                  main group element atom 5028
                    p-block element atom 5025
                      carbon group element atom 4942
                        carbon atom 4941
                          organic molecular entity 4941
                            heteroorganic entity 4781
                              organochalcogen compound 4743
                                organooxygen compound 4705
                                  carbon oxoacid 370
                                    carboxylic acid 366
                                      carboacyl group 211
                                        univalent carboacyl group 211
                                          carbamoyl group 208
                                            carboxamide 208
                                              lactam 47
                                                1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea 0
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