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Agrocybin

CAT: 0931-TN9115-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9115-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
544-44-5
Target
HIV Protease, Reverse Transcriptase, Antifungal
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Bioactivity
Agrocybin is an antifungal peptide that exhibits activity against various fungi but lacks inhibitory effects on bacteria. It also attenuates the activity of HIV-1 reverse transcriptase (HIV-1 reverse transcriptase) .
Smiles
O=C(C#CC#CC#CCO)N
Molecular Formula
C8H5NO2
Molecular Weight
147.131
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Agrocybin

agrocybin has been reported in Agrocybe dura and Marasmius oreades with data available.

CAS Number544-44-5
PubChem CID11004
IUPAC Name8-hydroxyocta-2,4,6-triynamide
Molecular FormulaC8H5NO2
Molecular Weight147.13
XLogP-0.3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity341
SMILES
C(C#CC#CC#CC(=O)N)O
InChI
InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)
InChIKey
OXONWCQUZYDTNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Agrocybin
CAS: 544-44-5
CID: 11004
Formula: C8H5NO2
MW: 147.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.13
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass147.032028402
Monoisotopic Mass147.032028402
Topological Polar Surface Area63.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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