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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:2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
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Accession:CHEBI:110443 term browser browse the term
Definition:An amino acid amide that has formula C25H30ClN3O5.
Synonyms:related_synonym: Formula=C25H30ClN3O5;   InChI=1S/C25H30ClN3O5/c1-29(2)13-24(32)28-17-7-8-21-19(9-17)20-10-18(33-22(14-30)25(20)34-21)11-23(31)27-12-15-3-5-16(26)6-4-15/h3-9,18,20,22,25,30H,10-14H2,1-2H3,(H,27,31)(H,28,32)/t18-,20+,22-,25-/m0/s1;   InChIKey=JQYAUOPJHODSNH-GPYREICYSA-N;   SMILES=CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl
 xref: LINCS:LSM-21890


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Term Annotations click to browse term
  CHEBI ontology 22192
    chemical entity 22191
      atom 22184
        nonmetal atom 22069
          nitrogen atom 20022
            nitrogen molecular entity 20022
              organonitrogen compound 19828
                carboxamide 18109
                  amino acid amide 1424
                    2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22192
    subatomic particle 22184
      composite particle 22184
        hadron 22184
          baryon 22184
            nucleon 22184
              atomic nucleus 22184
                atom 22184
                  main group element atom 22118
                    p-block element atom 22118
                      carbon group element atom 21918
                        carbon atom 21844
                          organic molecular entity 21844
                            heteroorganic entity 21497
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  carbon oxoacid 19607
                                    carboxylic acid 19603
                                      carboacyl group 18296
                                        univalent carboacyl group 18296
                                          carbamoyl group 18109
                                            carboxamide 18109
                                              amino acid amide 1424
                                                2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide 0
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