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CHEBI:189096 - 11-β-hydroxysaxitoxin(2+)

ChEBI IDCHEBI:189096
ChEBI Name11-β-hydroxysaxitoxin(2+)
Stars
ASCII Name11-beta-hydroxysaxitoxin(2+)
DefinitionAn iminium ion resulting from the protonation of the two imine groups of 11-β-hydroxysaxitoxin; major microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H19N7O5
Net Charge+2
Average Mass317.306
Monoisotopic Mass317.14367
SMILES[H][C@@]12NC(=[NH2+])N[C@]13N(C[C@H](O)C3(O)O)C(=[NH2+])N[C@H]2COC(N)=O
InChIInChI=1S/C10H17N7O5/c11-6-15-5-3(2-22-8(13)19)14-7(12)17-1-4(18)10(20,21)9(5,17)16-6/h3-5,18,20-21H,1-2H2,(H2,12,14)(H2,13,19)(H3,11,15,16)/p+2/t3-,4-,5-,9-/m0/s1
InChIKeyIQOJXRIZTPZJOY-LJRZAWCWSA-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-hydroxysaxitoxin(2+) (CHEBI:189096) is a alkaloid (CHEBI:22315)
11-β-hydroxysaxitoxin(2+) (CHEBI:189096) is a guanidines (CHEBI:24436)
11-β-hydroxysaxitoxin(2+) (CHEBI:189096) is a iminium ion (CHEBI:35286)
11-β-hydroxysaxitoxin(2+) (CHEBI:189096) is a pyrrolopurine (CHEBI:136861)
UniProt Name  Source
11-β-hydroxysaxitoxinUniProt
Citations