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Gliotoxin 1mg

CAT: 0628-A13711-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A13711-1Size:1 mg
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CAS Number
67-99-2

Chemical Information

Gliotoxin

Gliotoxin is a pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. It has a role as a mycotoxin, an immunosuppressive agent, an antifungal agent, a proteasome inhibitor and an EC 2.5.1.58 (protein farnesyltransferase) inhibitor. It is an organic disulfide, an organic heterotetracyclic compound, a dipeptide and a pyrazinoindole.

CAS Number67-99-2
PubChem CID6223
IUPAC Name(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
Molecular FormulaC13H14N2O4S2
Molecular Weight326.4
XLogP-0.7
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity621
SMILES
CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O
InChI
InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
InChIKey
FIVPIPIDMRVLAY-RBJBARPLSA-N
Chemical Structure
2D Structure
2D structure of Gliotoxin
CAS: 67-99-2
CID: 6223
Formula: C13H14N2O4S2
MW: 326.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass326.03949928
Monoisotopic Mass326.03949928
Topological Polar Surface Area132 Ų
Heavy Atom Count21
Formal Charge0
Complexity621
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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CatalogName
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