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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:5-hydroxyectoine
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Accession:CHEBI:49432 term browser browse the term
Definition:A carboxamidine heterocycle which is obtained by formal condensation of 4-amino-L-allothreonine with acetic acid.
Synonyms:related_synonym: (4S,5S)-2-methyl-4-carboxy-5-hydroxy-3,4,5,6-tetrahydropyrimidine;   (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID;   (S,S)-2-methyl-5-hydroxy-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid;   4-pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S,5S)-;   Formula=C6H10N2O3;   InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1;   InChIKey=KIIBBJKLKFTNQO-WHFBIAKZSA-N;   SMILES=CC1=N[C@@H]([C@@H](O)CN1)C(O)=O;   beta-hydroxyectoine;   hydroxyectoine
 xref: KEGG:C16432;   PDBeChem:6CS;   PMID:16098972;   Reaxys:14124667
 cyclic_relationship: is_conjugate_acid_of CHEBI:63524;   is_tautomer_of CHEBI:85413


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Term Annotations click to browse term
  CHEBI ontology 19883
    chemical entity 19883
      atom 19881
        nonmetal atom 19760
          nitrogen atom 18646
            nitrogen molecular entity 18646
              amidine 812
                carboxamidine 806
                  5-hydroxyectoine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic group 18580
                              organic divalent group 18571
                                organodiyl group 18571
                                  carbonyl group 18479
                                    carbonyl compound 18479
                                      carboxylic acid 18153
                                        monocarboxylic acid 17519
                                          5-hydroxyectoine 0
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