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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-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide
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Accession:CHEBI:15797 term browser browse the term
Definition:A pyridinium salt that is 1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium having bromide as the counterion.
Synonyms:exact_synonym: 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium bromide
 related_synonym: 1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium bromide;   Formula=C14H19BrN4O;   InChI=1S/C14H19N4O.BrH/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15;/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1;   InChIKey=GUWSQVZFXHIGLN-UHFFFAOYSA-M;   Pyrithiamine;   SMILES=[Br-].Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1
 alt_id: CHEBI:11188;   CHEBI:18962;   CHEBI:568
 xref: CAS:616-92-2;   KEGG:C04905;   PMID:20567953;   Reaxys:21133376


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19762
    chemical entity 19762
      molecular entity 19760
        ion 15930
          anion 14955
            salt 14634
              organic salt 2538
                pyridinium salt 133
                  1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19570
                        carbon atom 19560
                          organic molecular entity 19560
                            organic molecule 19493
                              organic cyclic compound 19322
                                organic heterocyclic compound 18554
                                  organic heteromonocyclic compound 17055
                                    pyridines 8855
                                      pyridinium salt 133
                                        1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide 0
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