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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:ectoine
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Accession:CHEBI:27592 term browser browse the term
Definition:A carboxamidine heterocycle obtained by formal condensation of (2S)-2,4-diaminobutanoic acid with acetic acid.
Synonyms:related_synonym: (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid;   (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid;   Formula=C6H10N2O2;   InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1;   InChIKey=WQXNXVUDBPYKBA-YFKPBYRVSA-N;   L-ectoine;   SMILES=CC1=N[C@@H](CCN1)C(O)=O
 alt_id: CHEBI:23898;   CHEBI:4756;   CHEBI:49406
 xref: Beilstein:7288977;   CAS:96702-03-3;   KEGG:C06231;   MetaCyc:ECTOINE;   PDBeChem:4CS;   Reaxys:7288977;   Wikipedia:Ectoine
 cyclic_relationship: is_conjugate_acid_of CHEBI:63475;   is_tautomer_of CHEBI:58515



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    role 19763
      biological role 19763
        osmolyte 2052
          ectoine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19710
                    p-block element atom 19710
                      carbon group element atom 19631
                        carbon atom 19621
                          organic molecular entity 19621
                            organic group 18730
                              organic divalent group 18721
                                organodiyl group 18721
                                  carbonyl group 18670
                                    carbonyl compound 18670
                                      carboxylic acid 18367
                                        monocarboxylic acid 17639
                                          ectoine 0
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