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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
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  CHEBI ontology 19808
    role 19784
      application 19627
        anti-inflammatory agent 16580
          neosaxitoxin 1
Path 2
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  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            organic molecule 19655
                              organic cyclic compound 19468
                                organic heterocyclic compound 18848
                                  organic heteropolycyclic compound 18278
                                    organic heterotricyclic compound 15623
                                      pyrrolopurine 9
                                        paralytic shellfish toxin 9
                                          saxitoxin 9
                                            neosaxitoxin 1
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