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CHEBI:189097 - β-saxitoxinol(2+)

ChEBI IDCHEBI:189097
ChEBI Nameβ-saxitoxinol(2+)
Stars
ASCII Namebeta-saxitoxinol(2+)
DefinitionAn iminium ion resulting from the protonation of the two imine groups of β-saxitoxinol; major microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H19N7O3
Net Charge+2
Average Mass285.308
Monoisotopic Mass285.15384
SMILES[H][C@@]12NC(=[NH2+])N[C@@]13[C@@H](O)CCN3C(=[NH2+])N[C@H]2COC(N)=O
InChIInChI=1S/C10H17N7O3/c11-7-15-6-4(3-20-9(13)19)14-8(12)17-2-1-5(18)10(6,17)16-7/h4-6,18H,1-3H2,(H2,12,14)(H2,13,19)(H3,11,15,16)/p+2/t4-,5-,6-,10+/m0/s1
InChIKeyNILHUXIFTLLDPJ-AVGUDYQDSA-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)
β-saxitoxinol(2+) (CHEBI:189097) is a alkaloid (CHEBI:22315)
β-saxitoxinol(2+) (CHEBI:189097) is a guanidines (CHEBI:24436)
β-saxitoxinol(2+) (CHEBI:189097) is a iminium ion (CHEBI:35286)
β-saxitoxinol(2+) (CHEBI:189097) is a pyrrolopurine (CHEBI:136861)
Synonym  Source
β-STOH(2+)SUBMITTER
UniProt Name  Source
β-saxitoxinolUniProt
Citations