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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:3-hydroxy-4-methyl-L-kynurenine zwitterion
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Accession:CHEBI:141609 term browser browse the term
Definition:Zwitterionic form of 3-hydroxy-4-methyl-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3
Synonyms:related_synonym: 3-hydroxy-4-methyl-L-kynurenine;   Formula=C11H14N2O4;   InChI=1S/C11H14N2O4/c1-5-2-3-6(9(13)10(5)15)8(14)4-7(12)11(16)17/h2-3,7,15H,4,12-13H2,1H3,(H,16,17)/t7-/m0/s1;   InChIKey=BHPWCYYINLFUDE-ZETCQYMHSA-N;   L-3H4MK;   SMILES=C1(C(C[C@@H](C(=O)[O-])[NH3+])=O)=CC=C(C(=C1N)O)C
 xref: MetaCyc:CPD-18908;   PMID:21612226
 cyclic_relationship: is_enantiomer_of CHEBI:141611


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 501
    chemical entity 501
      molecular entity 501
        polyatomic entity 494
          molecule 475
            organic molecule 473
              dipolar compound 1
                zwitterion 1
                  amino acid zwitterion 0
                    3-hydroxy-4-methyl-L-kynurenine zwitterion 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            organic molecule 473
                              dipolar compound 1
                                zwitterion 1
                                  amino acid zwitterion 0
                                    L-kynurenine zwitterion 0
                                      3-hydroxy-4-methyl-L-kynurenine zwitterion 0
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