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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:pyrroloquinoline semiquinone
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Accession:CHEBI:48452 term browser browse the term
Definition:A semiquinone that has formula C14H7N2O8.
Synonyms:exact_synonym: (2,7,9-tricarboxy-5-hydroxy-1H-pyrrolo[2,3-f]quinolin-4-yl)oxidanyl
 related_synonym: 2,7,9-tricarboxy-1H-pyrrolo(2,3-f)quinoline-4-one-5-ol;   2,7,9-tricarboxypyrrolo(2,3-f)quinoline-4-ol-5-one;   Formula=C14H7N2O8;   InChI=1S/C14H7N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15,18H,(H,19,20)(H,21,22)(H,23,24);   InChIKey=VKRODJWIGYCXIB-UHFFFAOYSA-N;   PQQH;   SMILES=[O]c1c(O)c2nc(cc(C(O)=O)c2c2[nH]c(cc12)C(O)=O)C(O)=O;   pyrrolo-quinoline semiquinone
 xref: CAS:84371-05-1


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Term Annotations click to browse term
  CHEBI ontology 26092
    chemical entity 26071
      molecular entity 26049
        radical 550
          organic radical 118
            semiquinone 0
              pyrroloquinoline semiquinone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26092
    subatomic particle 26067
      composite particle 26067
        hadron 26067
          baryon 26067
            nucleon 26067
              atomic nucleus 26067
                atom 26067
                  main group element atom 25894
                    p-block element atom 25894
                      carbon group element atom 25481
                        carbon atom 25440
                          organic molecular entity 25440
                            organic molecule 25253
                              organic cyclic compound 24300
                                organic heterocyclic compound 22339
                                  organic heteropolycyclic compound 21333
                                    organic heterotricyclic compound 15992
                                      pyrroloquinoline 45
                                        pyrroloquinoline cofactor 38
                                          pyrroloquinoline semiquinone 0
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