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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 19900
    role 19875
      biological role 19873
        osmolyte 2091
          ectoine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19900
    subatomic particle 19898
      composite particle 19898
        hadron 19898
          baryon 19898
            nucleon 19898
              atomic nucleus 19898
                atom 19898
                  main group element atom 19845
                    p-block element atom 19845
                      carbon group element atom 19792
                        carbon atom 19787
                          organic molecular entity 19787
                            organic group 18957
                              organic divalent group 18938
                                organodiyl group 18938
                                  carbonyl group 18890
                                    carbonyl compound 18890
                                      carboxylic acid 18611
                                        monocarboxylic acid 17936
                                          ectoine 0
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