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ONTOLOGY REPORT - ANNOTATIONS


Term:1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid
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Accession:CHEBI:48793 term browser browse the term
Definition:A ferrocene inhibitor of the synthetic exo Diels-Alderase catalytic antibody 13G5, where the (dimethylamino)carbonyl group represents the dienophile and the carboxyl group represents the side chain of the diene.
Synonyms:related_synonym: 1-carboxy-1'-[(dimethylamino)carbonyl]ferrocene;   Formula=C14H15FeNO3;   InChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7;7-6(8)5-3-1-2-4-5;/h3-6H,1-2H3;1-4H,(H,7,8);;   InChIKey=QUKRDAUIFVLNSE-UHFFFAOYSA-N;   SMILES=CN(C)C(=O)C12C3C4C5C1[Fe]23451234C5C1C2C3(C45)C(O)=O;   [(1,2,3,4,5-eta)-1-carboxycyclopentadienyl][(1,2,3,4,5-eta)-1-(dimethylcarbamoyl)cyclopentadienyl]iron
 alt_id: CHEBI:30673;   CHEBI:48792
 xref: PDB:1A3L;   PDBeChem:CFC;   PMID:9506943 "Europe PMC"


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  CHEBI ontology 19596
    role 19539
      biological role 19537
        inhibitor 17994
          1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid 0
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  CHEBI ontology 19596
    subatomic particle 19592
      composite particle 19592
        hadron 19592
          baryon 19592
            nucleon 19592
              atomic nucleus 19592
                atom 19592
                  metal atom 16970
                    transition element atom 16448
                      d-block element atom 16435
                        iron group element atom 826
                          iron atom 811
                            iron molecular entity 811
                              iron coordination entity 345
                                ferrocenes 0
                                  ferrocene 0
                                    1'-(dimethylcarbamoyl)ferrocene-1-carboxylic acid 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.