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saxitoxin

Go to external page http://purl.obolibrary.org/obo/CHEBI_34970

An alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning.

Term info

Label

saxitoxin

Synonyms
  • [(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
database cross reference
Subsets

3_STAR

IUPAC NAME
[(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate [ IUPAC ]

charge

0

formula

C10H17N7O4

has obo namespace

chebi_ontology

id

CHEBI:34970

inchi

InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1

inchikey

RPQXVSUAYFXFJA-HGRQIUPRSA-N

mass

299.28650

monoisotopicmass

299.13420

smiles

NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12