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Gonyautoxin I

CAT: 0804-HY-N12100Size: 1 EachDry Ice: NoHazardous: No
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Description
Gonyautoxin I (GTX1) is a neurotoxin that can be isolated from Paralytic shellfish[1].
CAS Number
60748-39-2
Product Name Alternative
GTX1
UNSPSC
12352005
Hazard Statement
H300-H310
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/gonyautoxin-i.html
Solubility
10 mM in DMSO
Smiles
OC1([C@](N(C2=N)C[C@H]1O[S](=O)(O)=O)(NC(N)=N3)[C@]3([H])[C@@H](N2O)COC(N)=O)O
Molecular Formula
C10H17N7O9S
Molecular Weight
411.35
Precautions
P262-P264-P270-P280-P302+P352-P330-P361+P364-P405-P501
References & Citations
[1]Gao S, et al. Gonyautoxin 1/4 aptamers with high-affinity and high-specificity: From efficient selection to aptasensor application. Biosens Bioelectron. 2016 May 15;79:938-44.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Gonyautoxin I

Gonyautoxin 1 has been reported in Aphanizomenon with data available.

CAS Number60748-39-2
PubChem CID90694465
IUPAC Name[(3aS,4R,9R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Molecular FormulaC10H17N7O9S
Molecular Weight411.35
XLogP-5.7
Topological Polar Surface Area266
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity810
SMILES
C1[C@H](C([C@@]23N1C(=N)N([C@H]([C@@H]2N=C(N3)N)COC(=O)N)O)(O)O)OS(=O)(=O)O
InChI
InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4+,5-,9-/m0/s1
InChIKey
CETRDCWBMBILAL-XXKOCQOQSA-N
Chemical Structure
2D Structure
2D structure of Gonyautoxin I
CAS: 60748-39-2
CID: 90694465
Formula: C10H17N7O9S
MW: 411.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight411.35
XLogP3-5.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass411.08084632
Monoisotopic Mass411.08084632
Topological Polar Surface Area266 Ų
Heavy Atom Count27
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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