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decarbamoylsaxitoxin

Go to external page http://purl.obolibrary.org/obo/CHEBI_133919

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.

Term info

Label

decarbamoylsaxitoxin

Synonyms
  • (3aS,4R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,8H-pyrrolo[1,2-c]purine-10,10-diol
database cross reference
Subsets

3_STAR

IUPAC NAME
(3aS,4R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,8H-pyrrolo[1,2-c]purine-10,10-diol [ IUPAC ]

charge

0

formula

C9H16N6O3

has obo namespace

chebi_ontology

has related synonym

Dcstx-saxitoxin, Decarbamylsaxitoxin, 4-(hydroxymethyl)-2,6-diimino-decahydropyrrolo[1,2-c]purine-10,10-diol

id

CHEBI:133919

inchi

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

mass

256.262

monoisotopicmass

256.12839

smiles

N1C(N2[C@@]3([C@]([C@@H]1CO)(NC(N3)=N)[H])C(CC2)(O)O)=N