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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:isopyridoxal
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Accession:CHEBI:17889 term browser browse the term
Definition:A pyridinecarbaldehyde that is pyridine-5-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 4 respectively.
Synonyms:exact_synonym: 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carbaldehyde
 related_synonym: Formula=C8H9NO3;   InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2-3,11-12H,4H2,1H3;   InChIKey=GNKXHPULSPWUAK-UHFFFAOYSA-N;   SMILES=Cc1ncc(C=O)c(CO)c1O
 alt_id: CHEBI:14477;   CHEBI:24919;   CHEBI:6050
 xref: CAS:66-72-8;   HMDB:HMDB0004290;   KEGG:C06051
 xref_mesh: MESH:D011730
 xref: MetaCyc:CPD-383;   PMID:13702476;   PMID:22770225;   PMID:5769992;   Reaxys:383768


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        biochemical role 19282
          metabolite 19263
            isopyridoxal 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        carboacyl group 17348
                                          univalent carboacyl group 17348
                                            formyl group 7847
                                              aldehyde 7847
                                                heteroarenecarbaldehyde 17
                                                  pyridinecarbaldehyde 17
                                                    isopyridoxal 0
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