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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:decarbamoylsaxitoxin
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Accession:CHEBI:133919 term browser browse the term
Definition:A pyrrolopurine that is 2,6-diiminodecahydropyrrolo[1,2-c]purine carrying an additional hydroxymethyl substituent at position 4 as well as two hydroxy substituents at position 10. A toxin that is isolated from marine dinoflagellates and cyanobacteria and is known to cause paralytic shellfish poisoning.
Synonyms:exact_synonym: (3aS,4R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,8H-pyrrolo[1,2-c]purine-10,10-diol
 related_synonym: 4-(hydroxymethyl)-2,6-diimino-decahydropyrrolo[1,2-c]purine-10,10-diol;   Dcstx-saxitoxin;   Decarbamylsaxitoxin;   Formula=C9H16N6O3;   InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1;   InChIKey=VRRIYZJUSNMZMP-PJPYAQQDSA-N;   SMILES=N1C(N2[C@@]3([C@]([C@@H]1CO)(NC(N3)=N)[H])C(CC2)(O)O)=N
 xref: AGR:IND44454658;   AGR:IND601134073;   CAS:58911-04-9;   Chemspider:28574223;   HMDB:HMDB0038319;   PMID:12740803;   PMID:12924931;   PMID:15019474;   PMID:15146927;   PMID:16192070;   PMID:16536478;   PMID:16544882;   PMID:17370612;   PMID:17996918;   PMID:18232710;   PMID:20048055;   PMID:20355743;   PMID:20650063;   PMID:21619049;   PMID:22960450;   PMID:24334673;   PMID:24418175;   PMID:25213823;   PMID:26024657;   Reaxys:1145725


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  CHEBI ontology 19921
    role 19896
      biological role 19894
        xenobiotic 18781
          decarbamoylsaxitoxin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19867
                    p-block element atom 19867
                      carbon group element atom 19812
                        carbon atom 19807
                          organic molecular entity 19807
                            organic molecule 19764
                              organic cyclic compound 19572
                                organic heterocyclic compound 18905
                                  organic heteropolycyclic compound 18317
                                    organic heterotricyclic compound 15650
                                      pyrrolopurine 9
                                        paralytic shellfish toxin 9
                                          decarbamoylsaxitoxin 0
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