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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:3-\{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino\}propanoic acid
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Accession:CHEBI:40940 term browser browse the term
Definition:An N-methylated dihydro acridine carrying carbonitrile and N-carboxyethylcarbamoyl substituents at C-9.
Synonyms:related_synonym: 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID;   Formula=C19H17N3O3;   InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24);   InChIKey=FRBAOMHMZCGBOJ-UHFFFAOYSA-N;   SMILES=CN1c2ccccc2C(C#N)(C(=O)NCCC(O)=O)c2ccccc12
 xref: PDB:1LO0;   PDBeChem:BC1;   PMID:12093912


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  CHEBI ontology 19783
    role 19728
      biological role 19728
        hapten 3019
          3-\{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino\}propanoic acid 0
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  CHEBI ontology 19783
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            one-carbon compound 17597
                              hydrogen cyanide 2950
                                cyanides 2950
                                  nitrile 2946
                                    3-\{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino\}propanoic acid 0
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