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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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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
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  CHEBI ontology 19848
    role 19824
      application 19668
        anti-inflammatory agent 16601
          neosaxitoxin 1
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  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            organic molecule 19690
                              organic cyclic compound 19501
                                organic heterocyclic compound 18878
                                  organic heteropolycyclic compound 18301
                                    organic heterotricyclic compound 15647
                                      pyrrolopurine 9
                                        paralytic shellfish toxin 9
                                          saxitoxin 9
                                            neosaxitoxin 1
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