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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:N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
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Accession:CHEBI:95562 term browser browse the term
Definition:A pyrazine that has formula C25H32N6O4.
Synonyms:related_synonym: Formula=C25H32N6O4;   InChI=1S/C25H32N6O4/c1-17-14-31(18(2)16-32)24(33)20-11-19(7-6-10-29(3)4)12-28-23(20)35-22(17)15-30(5)25(34)21-13-26-8-9-27-21/h8-9,11-13,17-18,22,32H,10,14-16H2,1-5H3/t17-,18+,22+/m0/s1;   InChIKey=GDMNEEJFLGDCSP-NJNPRVFISA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@@H]1CN(C)C(=O)C3=NC=CN=C3)[C@H](C)CO
 xref: LINCS:LSM-6941


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          nitrogen atom 0
            nitrogen molecular entity 0
              organonitrogen compound 0
                carboxamide 0
                  tertiary carboxamide 0
                    N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide 0
Path 2
Term Annotations click to browse term
  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
                                              tertiary carboxamide 0
                                                N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide 0
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