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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,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-2-(2-pyridinyl)acetamide
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Accession:CHEBI:119109 term browser browse the term
Definition:A N-methylpiperazine that has formula C20H28N4O4.
Synonyms:related_synonym: Formula=C20H28N4O4;   InChI=1S/C20H28N4O4/c1-23-8-10-24(11-9-23)20(27)13-16-5-6-17(18(14-25)28-16)22-19(26)12-15-4-2-3-7-21-15/h2-7,16-18,25H,8-14H2,1H3,(H,22,26)/t16-,17-,18-/m1/s1;   InChIKey=KPQAGDNSAAOMGS-KZNAEPCWSA-N;   SMILES=CN1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)CC3=CC=CC=N3
 xref: LINCS:LSM-30558



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Term Annotations click to browse term
  CHEBI ontology 22188
    role 22173
      application 21755
        NMR chemical shift reference compound 18738
          ammonia 18444
            organic amino compound 18444
              tertiary amino compound 10307
                N-methylpiperazine 1395
                  N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-2-(2-pyridinyl)acetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22188
    subatomic particle 22180
      composite particle 22180
        hadron 22180
          baryon 22180
            nucleon 22180
              atomic nucleus 22180
                atom 22180
                  main group element atom 22114
                    main group molecular entity 22114
                      s-block molecular entity 21706
                        hydrogen molecular entity 21622
                          hydrides 20748
                            inorganic hydride 18678
                              pnictogen hydride 18658
                                nitrogen hydride 18537
                                  azane 18445
                                    ammonia 18444
                                      organic amino compound 18444
                                        tertiary amino compound 10307
                                          N-alkylpiperazine 3390
                                            N-methylpiperazine 1395
                                              N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-2-(2-pyridinyl)acetamide 0
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