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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-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-phenylurea
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Accession:CHEBI:110979 term browser browse the term
Definition:An azamacrocycle that has formula C31H46N4O5.
Synonyms:related_synonym: Formula=C31H46N4O5;   InChI=1S/C31H46N4O5/c1-22-19-35(23(2)21-36)30(37)27-18-26(33(4)5)15-16-28(27)40-24(3)12-10-11-17-39-29(22)20-34(6)31(38)32-25-13-8-7-9-14-25/h7-9,13-16,18,22-24,29,36H,10-12,17,19-21H2,1-6H3,(H,32,38)/t22-,23-,24+,29-/m0/s1;   InChIKey=KAHNNCGHTWSOBA-OODISRMCSA-N;   SMILES=C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3
 xref: LINCS:LSM-22423

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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      molecular entity 2
        polyatomic entity 2
          molecule 2
            cyclic compound 2
              macrocycle 0
                azamacrocycle 0
                  1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-phenylurea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              lactam 0
                                                1-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-phenylurea 0
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