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CHEBI:180458 - saxitoxin(2+)

ChEBI IDCHEBI:180458
ChEBI Namesaxitoxin(2+)
Stars
DefinitionAn iminium ion resulting from the protonation of the two imine groups of saxitoxin; major species at pH 7.3.
Last Modified13 September 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC10H19N7O4
Net Charge+2
Average Mass301.307
Monoisotopic Mass301.14875
SMILES[H][C@@]12NC(=[NH2+])N[C@]13N(CCC3(O)O)C(=[NH2+])N[C@H]2COC(N)=O
InChIInChI=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)/p+2/t4-,5-,10-/m0/s1
InChIKeyRPQXVSUAYFXFJA-HGRQIUPRSA-P
ChEBI Ontology
Outgoing Relation(s)
saxitoxin(2+) (CHEBI:180458) is a iminium ion (CHEBI:35286)
saxitoxin(2+) (CHEBI:180458) is conjugate acid of saxitoxin (CHEBI:34970)
Incoming Relation(s)
saxitoxin (CHEBI:34970) is conjugate base of saxitoxin(2+) (CHEBI:180458)
IUPAC Name 
(3aS,4R,10aS)-4-[(carbamoyloxy)methyl]-10,10-dihydroxyhexahydro-1H,8H-pyrrolo[1,2-c]purine-2,6-bis(iminium)
Synonym  Source
saxitoxin dicationChEBI
UniProt Name  Source
saxitoxinUniProt