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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:saxitoxin acetate
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Accession:CHEBI:142400 term browser browse the term
Definition:An acetate salt that is the diacetate of the toxic alkaloid saxitoxin.
Synonyms:exact_synonym: acetic acid--[(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate (2/1)
 related_synonym: Formula=C14H25N7O8;   InChI=1S/C10H17N7O4.2C2H4O2/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6;2*1-2(3)4/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16);2*1H3,(H,3,4)/t4-,5-,10-;;/m0../s1;   InChIKey=ATZFJZKIYFVCKU-UIPPETONSA-N;   SMILES=N1C(N2[C@@]3([C@]([C@@H]1COC(N)=O)(NC(N3)=N)[H])C(CC2)(O)O)=N.CC(=O)O.CC(=O)O;   [(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate acetate (1:2);   saxitoxin diacetate
 xref: PMID:28648727;   Reaxys:31315074


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        poison 0
          toxin 0
            saxitoxin 0
              saxitoxin acetate 0
Path 2
Term Annotations click to browse term
  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 heteropolycyclic compound 0
                                    organic heterotricyclic compound 0
                                      pyrrolopurine 0
                                        paralytic shellfish toxin 0
                                          saxitoxin 0
                                            saxitoxin acetate 0
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