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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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neosaxitoxin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Tnf tumor necrosis factor multiple interactions ISO neosaxitoxin inhibits the reaction [lipopolysaccharide, Escherichia coli O111 B4 results in increased expression of TNF mRNA]; neosaxitoxin inhibits the reaction [lipopolysaccharide, Escherichia coli O111 B4 results in increased expression of TNF protein] CTD PMID:32471037 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19751
    role 19724
      application 19557
        anti-inflammatory agent 16470
          neosaxitoxin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19751
    subatomic particle 19749
      composite particle 19749
        hadron 19749
          baryon 19749
            nucleon 19749
              atomic nucleus 19749
                atom 19749
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19644
                        carbon atom 19640
                          organic molecular entity 19640
                            organic molecule 19602
                              organic cyclic compound 19412
                                organic heterocyclic compound 18771
                                  organic heteropolycyclic compound 18259
                                    organic heterotricyclic compound 15614
                                      pyrrolopurine 2
                                        paralytic shellfish toxin 2
                                          saxitoxin 2
                                            neosaxitoxin 1
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