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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-[3-(aminomethyl)benzyl]acetamidine
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Accession:CHEBI:90721 term browser browse the term
Definition:An aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase.
Synonyms:exact_synonym: N-{[3-(aminomethyl)phenyl]methyl}ethanimidamide
 related_synonym: 1400 W;   1400W;   Formula=C10H15N3;   InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13);   InChIKey=RODUKNYOEVZQPR-UHFFFAOYSA-N;   SMILES=C(=N)(NCC1=CC(=CC=C1)CN)C;   W1400
 xref: DrugBank:DB02044
 xref_mesh: MESH:C104820
 xref: PDBeChem:14W;   PMID:11459438;   PMID:25619924;   PMID:26362773;   PMID:26526764;   Reaxys:8054187


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  CHEBI ontology 226
    role 226
      application 193
        refrigerant 69
          ammonia 69
            organic amino compound 69
              primary amino compound 9
                N-[3-(aminomethyl)benzyl]acetamidine 0
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  CHEBI ontology 226
    subatomic particle 226
      composite particle 226
        hadron 226
          baryon 226
            nucleon 226
              atomic nucleus 226
                atom 226
                  main group element atom 219
                    main group molecular entity 219
                      s-block molecular entity 174
                        hydrogen molecular entity 172
                          hydrides 112
                            inorganic hydride 75
                              pnictogen hydride 74
                                nitrogen hydride 74
                                  azane 69
                                    ammonia 69
                                      organic amino compound 69
                                        amine 9
                                          alkylamines 0
                                            aralkylamine 0
                                              N-[3-(aminomethyl)benzyl]acetamidine 0
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