Molecule

Gonyautoxin-6

AlkaPlorer ID: AK036241

Synonym: None

IUPAC Name: [(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid

Structure

SMILES: N=C1N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CCC(O)(O)[C@]23N1

InChI: InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24)/t4-,5-,10-/m0/s1

InChIKey: ALRRPAKWGUBPBK-HGRQIUPRSA-N

Reference

Re-evaluation of paralytic shellfish toxin profiles in cyanobacteria using hydrophilic interaction liquid chromatography-tandem mass spectrometry

PubChem CID: 101650370

CAS: 82810-44-4

LOTUS: LTS0241858

SuperNatural Ⅲ: SN0008930-01

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NPAtlas: NPA027622

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	Rivulariaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 395.35400000000016

TPSA？: 231.63

MolLogP？: -3.897359999999997

Number of H-Donors: 9

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi