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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,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide
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Accession:CHEBI:97450 term browser browse the term
Definition:A pyrazine that has formula C32H36N6O5.
Synonyms:related_synonym: Formula=C32H36N6O5;   InChI=1S/C32H36N6O5/c1-37-27-9-8-24(16-30(39)35-23-11-14-38(19-23)18-21-5-3-2-4-6-21)43-29(27)20-42-28-10-7-22(15-25(28)32(37)41)36-31(40)26-17-33-12-13-34-26/h2-7,10,12-13,15,17,23-24,27,29H,8-9,11,14,16,18-20H2,1H3,(H,35,39)(H,36,40)/t23-,24-,27-,29+/m0/s1;   InChIKey=HJSUWZUIIQDZFE-AECHJOTKSA-N;   SMILES=CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=NC=CN=C4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6
 xref: LINCS:LSM-8829


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Term Annotations click to browse term
  CHEBI ontology 24845
    chemical entity 24815
      atom 24805
        nonmetal atom 24544
          nitrogen atom 21630
            nitrogen molecular entity 21630
              organonitrogen compound 20909
                carboxamide 19240
                  secondary carboxamide 321
                    N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24845
    subatomic particle 24805
      composite particle 24805
        hadron 24805
          baryon 24805
            nucleon 24805
              atomic nucleus 24805
                atom 24805
                  main group element atom 24674
                    p-block element atom 24674
                      carbon group element atom 24472
                        carbon atom 24436
                          organic molecular entity 24436
                            organic group 22892
                              organic divalent group 22872
                                organodiyl group 22872
                                  carbonyl group 22866
                                    carbonyl compound 22866
                                      carboxylic acid 21941
                                        carboacyl group 19772
                                          univalent carboacyl group 19772
                                            carbamoyl group 19240
                                              carboxamide 19240
                                                secondary carboxamide 321
                                                  N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide 0
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