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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:neosaxitoxin
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Accession:CHEBI:167561 term browser browse the term
Definition:A pyrrolopurine that is saxitoxin carrying a hydroxy substituent on the nitrogen atom at position 5. It is a sodium channel blocker that is undergoing clinical trials as a prolonged-duration local anesthetic.
Synonyms:exact_synonym: [(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,5,6,9,10-hexahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
 related_synonym: Formula=C10H17N7O5;   InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1;   InChIKey=PPEKGEBBBBNZKS-HGRQIUPRSA-N;   NSTX;   NeoSTX;   SMILES=[H][C@@]12NC(N)=N[C@]11N(CCC1(O)O)C(=N)N(O)[C@H]2COC(N)=O;   [(3aS,4R,10aS)-5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate;   neosaxitoxina
 xref: CAS:64296-20-4;   Chemspider:19975931;   DrugBank:DB12989;   FooDB:FDB000438;   HMDB:HMDB0029369;   KEGG:C17208
 xref_mesh: MESH:C034902
 xref: PMID:18487408;   PMID:25257789;   PMID:26275090;   PMID:26280473;   PMID:26372144;   PMID:27710889;   PMID:29146176;   PMID:30107206;   PMID:30951754;   PMID:31683507;   PMID:31958316;   PMID:32471037;   PMID:6284918;   Wikipedia:Neosaxitoxin


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  CHEBI ontology 494
    role 501
      application 452
        anti-inflammatory agent 36
          neosaxitoxin 0
Path 2
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  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            organic molecule 466
                              organic cyclic compound 449
                                organic heterocyclic compound 419
                                  organic heteropolycyclic compound 96
                                    organic heterotricyclic compound 24
                                      pyrrolopurine 0
                                        paralytic shellfish toxin 0
                                          saxitoxin 0
                                            neosaxitoxin 0
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