Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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



show annotations for term's descendants           Sort by:
 
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 19800
    role 19751
      application 19498
        anti-inflammatory agent 15841
          neosaxitoxin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic molecule 19549
                              organic cyclic compound 19343
                                organic heterocyclic compound 18584
                                  organic heteropolycyclic compound 18043
                                    organic heterotricyclic compound 14639
                                      pyrrolopurine 2
                                        paralytic shellfish toxin 2
                                          saxitoxin 2
                                            neosaxitoxin 1
paths to the root