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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-epi-3-hydroxymugineic acid
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Accession:CHEBI:20013 term browser browse the term
Definition:A tricarboxylic acid that has formula C12H20N2O9.
Synonyms:exact_synonym: 4-[(2S,3S)-2-carboxy-3-hydroxyazetidin-1-yl]-N-[(3S)-3-carboxy-3-hydroxypropyl]-L-allothreonine
 related_synonym: Formula=C12H20N2O9;   InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/t5-,6-,7-,8-,9-/m0/s1;   InChIKey=QPIOQLJXMZWNFJ-LJASKYJCSA-N;   SMILES=O[C@@H](CN1C[C@H](O)[C@H]1C(O)=O)[C@H](NCC[C@H](O)C(O)=O)C(O)=O
 xref: Beilstein:5886036;   KEGG:C15501
 cyclic_relationship: is_conjugate_acid_of CHEBI:58488

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  CHEBI ontology 0
    role 0
      chemical role 0
        donor 0
          Bronsted acid 0
            oxoacid 0
              carbon oxoacid 0
                carboxylic acid 0
                  tricarboxylic acid 0
                    3-epi-3-hydroxymugineic acid 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteromonocyclic compound 0
                                    saturated organic heteromonocyclic parent 0
                                      azetidine 0
                                        azetidinecarboxylic acid 0
                                          mugineic acids 0
                                            mugineic acid 0
                                              3-epi-3-hydroxymugineic acid 0
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