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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-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[2-(4-morpholinyl)-4-pyridinyl]urea
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Accession:CHEBI:112510 term browser browse the term
Definition:An azamacrocycle that has formula C26H40N8O5.
Synonyms:related_synonym: Formula=C26H40N8O5;   InChI=1S/C26H40N8O5/c1-19-15-33(20(2)17-35)25(36)5-4-8-34-22(14-28-30-34)18-39-23(19)16-31(3)26(37)29-21-6-7-27-24(13-21)32-9-11-38-12-10-32/h6-7,13-14,19-20,23,35H,4-5,8-12,15-18H2,1-3H3,(H,27,29,37)/t19-,20-,23-/m0/s1;   InChIKey=RIHXBZGHHXCGPP-JTAQYXEDSA-N;   SMILES=C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)NC3=CC(=NC=C3)N4CCOCC4)[C@@H](C)CO
 xref: LINCS:LSM-23920


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Path 1
Term Annotations click to browse term
  CHEBI ontology 495
    chemical entity 495
      molecular entity 495
        polyatomic entity 488
          molecule 469
            cyclic compound 450
              macrocycle 17
                azamacrocycle 0
                  1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[2-(4-morpholinyl)-4-pyridinyl]urea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 495
    subatomic particle 495
      composite particle 495
        hadron 495
          baryon 495
            nucleon 495
              atomic nucleus 495
                atom 495
                  main group element atom 488
                    p-block element atom 488
                      carbon group element atom 477
                        carbon atom 476
                          organic molecular entity 476
                            heteroorganic entity 472
                              organochalcogen compound 426
                                organooxygen compound 424
                                  carbon oxoacid 365
                                    carboxylic acid 365
                                      carboacyl group 306
                                        univalent carboacyl group 306
                                          carbamoyl group 304
                                            carboxamide 304
                                              lactam 4
                                                1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[2-(4-morpholinyl)-4-pyridinyl]urea 0
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