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CHEBI:189098 - 11-β-hydroxy-β-saxitoxinol(2+)

ChEBI IDCHEBI:189098
ChEBI Name11-β-hydroxy-β-saxitoxinol(2+)
Stars
ASCII Name11-beta-hydroxy-beta-saxitoxinol(2+)
DefinitionAn iminium ion resulting from the protonation of the two imine groups of 11-β-hydroxy-β-saxitoxinol; major microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H19N7O4
Net Charge+2
Average Mass301.307
Monoisotopic Mass301.14875
SMILES[H][C@@]12NC(=[NH2+])N[C@@]13[C@@H](O)[C@@H](O)CN3C(=[NH2+])N[C@H]2COC(N)=O
InChIInChI=1S/C10H17N7O4/c11-7-15-5-3(2-21-9(13)20)14-8(12)17-1-4(18)6(19)10(5,17)16-7/h3-6,18-19H,1-2H2,(H2,12,14)(H2,13,20)(H3,11,15,16)/p+2/t3-,4-,5-,6-,10-/m0/s1
InChIKeyCPTBVFLFUGRJGR-LWEFNAMFSA-P
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
11-β-hydroxy-β-saxitoxinol(2+) (CHEBI:189098) is a alkaloid (CHEBI:22315)
11-β-hydroxy-β-saxitoxinol(2+) (CHEBI:189098) is a guanidines (CHEBI:24436)
11-β-hydroxy-β-saxitoxinol(2+) (CHEBI:189098) is a iminium ion (CHEBI:35286)
11-β-hydroxy-β-saxitoxinol(2+) (CHEBI:189098) is a pyrrolopurine (CHEBI:136861)
UniProt Name  Source
11-β-hydroxy-β-saxitoxinolUniProt
Citations