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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:pyrithiamine pyrophosphate
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Accession:CHEBI:45395 term browser browse the term
Definition:A pyridinium ion that is the O-pyrophosphoryl derivative of pyrithiamine.
Synonyms:related_synonym: 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM;   Formula=C14H21N4O7P2;   InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1;   InChIKey=ZHKSTKOYQKNDSJ-UHFFFAOYSA-O;   SMILES=Cc1ncc(C[n+]2cccc(CCOP(O)(=O)OP(O)(O)=O)c2C)c(N)n1;   pyrithiamine diphosphate
 xref: DrugBank:DB04768;   PDBeChem:PYI;   PMID:16356850;   PMID:16365036;   PMID:16728979;   PMID:179991;   PMID:18533652;   Reaxys:18817484

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  CHEBI ontology 19775
    role 19722
      biological role 19722
        antimicrobial agent 17385
          pyrithiamine pyrophosphate 0
Path 2
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  CHEBI ontology 19775
    subatomic particle 19774
      composite particle 19774
        hadron 19774
          baryon 19774
            nucleon 19774
              atomic nucleus 19774
                atom 19774
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19584
                        carbon atom 19574
                          organic molecular entity 19574
                            organic ion 8470
                              organic cation 7323
                                pyridinium ion 2406
                                  pyrithiamine 3
                                    pyrithiamine pyrophosphate 0
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