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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 19922
    role 19894
      biological role 19864
        xenobiotic 18740
          decarbamoylsaxitoxin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19805
                        carbon atom 19802
                          organic molecular entity 19775
                            organic molecule 19755
                              organic cyclic compound 19545
                                organic heterocyclic compound 18906
                                  organic heteropolycyclic compound 18314
                                    organic heterotricyclic compound 15658
                                      pyrrolopurine 9
                                        paralytic shellfish toxin 9
                                          decarbamoylsaxitoxin 0
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