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

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ChEBI Name 11-β-hydroxy-β-saxitoxinol(2+)
ChEBI ID CHEBI:189098
ChEBI ASCII Name 11-beta-hydroxy-beta-saxitoxinol(2+)
Definition An iminium ion resulting from the protonation of the two imine groups of 11-β-hydroxy-β-saxitoxinol; major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C10H19N7O4
Net Charge +2
Average Mass 301.306
Monoisotopic Mass 301.14875
InChI InChI=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
InChIKey CPTBVFLFUGRJGR-LWEFNAMFSA-P
SMILES N1C(N2[C@@]3([C@]([C@@H]1COC(N)=O)(NC(N3)=[NH2+])[H])[C@H]([C@H](C2)O)O)=[NH2+]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Synonym Source
11-β-hydroxy-β-saxitoxinol UniProt
Citation Waiting for Citations Type Source
32532989 PubMed citation SUBMITTER