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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-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea
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Accession:CHEBI:122417 term browser browse the term
Definition:A N-methylpiperazine that has formula C17H30N4O4.
Synonyms:related_synonym: Formula=C17H30N4O4;   InChI=1S/C17H30N4O4/c1-3-6-18-17(24)19-14-5-4-13(25-15(14)12-22)11-16(23)21-9-7-20(2)8-10-21/h4-5,13-15,22H,3,6-12H2,1-2H3,(H2,18,19,24)/t13-,14-,15+/m1/s1;   InChIKey=AVCGIXMUPLIHTE-KFWWJZLASA-N;   SMILES=CCCNC(=O)N[C@@H]1C=C[C@@H](O[C@H]1CO)CC(=O)N2CCN(CC2)C
 xref: LINCS:LSM-33860



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Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        NMR chemical shift reference compound 17959
          ammonia 17818
            organic amino compound 17818
              tertiary amino compound 10143
                N-methylpiperazine 1385
                  1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      s-block molecular entity 19620
                        hydrogen molecular entity 19607
                          hydrides 19105
                            inorganic hydride 18113
                              pnictogen hydride 18102
                                nitrogen hydride 18009
                                  azane 17819
                                    ammonia 17818
                                      organic amino compound 17818
                                        tertiary amino compound 10143
                                          N-alkylpiperazine 3394
                                            N-methylpiperazine 1385
                                              1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propylurea 0
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