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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:callysponginol sulfate A
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Accession:CHEBI:65567 term browser browse the term
Definition:An organic sodium salt which is the monosodium salt of callysponginol sulfonic acid A. It is isolated from the marine sponge Callyspongia truncata as a membrane type 1 matrix metalloproteinase (MT1-MMP) inhibitor.
Synonyms:exact_synonym: sodium (1R,16Z)-1-carboxytricos-16-en-2-yn-1-yl sulfate
 related_synonym: Formula=C24H41NaO6S;   InChI=1S/C24H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(25)26)30-31(27,28)29;/h7-8,23H,2-6,9-20H2,1H3,(H,25,26)(H,27,28,29);/q;+1/p-1/b8-7-;/t23-;/m1./s1;   InChIKey=PBGNCXUOHDYVFH-GJUDBQLJSA-M;   SMILES=[Na+].CCCCCC\\C=C/CCCCCCCCCCCCC#C[C@@H](OS([O-])(=O)=O)C(O)=O
 xref: PMID:12713420


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  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            callysponginol sulfate A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            oxide 12744
                              oxoanion 10292
                                chalcogen oxoanion 659
                                  sulfur oxoanion 657
                                    sulfate 520
                                      organosulfate oxoanion 520
                                        callysponginol sulfate A(1-) 0
                                          callysponginol sulfate A 0
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