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Senfolomycin A

CAT: 0013-GTR19255046-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255046-01Size:10 mg
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Description
Senfolomycin A exhibits activity against Gram-positive bacteria and mycobacteria. It is also effective against penicillin-, streptomycin-, neomycin-, and macrolide-resistant Staphylococcus aureus. Additionally, Senfolomycin A has a weaker effect on Gram-negative bacteria.
CAS Number
11017-36-0
Field of Research
Infectious Disease & Virology
Smiles
O=C (O) C=1C (=O) C (O) (CC (=O) C1N) C2OC (COC (=O) C) C (OC (=O) C (N=C=S) =CC) C (OC3OC (C) C (O) (C (=O) C) C (OC) C3) C2O
Molecular Formula
C29H36N2O16S
Molecular Weight
700.665
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Senfolomycin A

Senfolomycin A has been reported in Streptomyces albus with data available.

CAS Number11017-36-0
PubChem CID135754253
IUPAC Name3-[4-(5-acetyl-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-(acetyloxymethyl)-3-hydroxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
Molecular FormulaC29H36N2O16S
Molecular Weight700.7
XLogP-0.7
Topological Polar Surface Area310
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Heavy Atom Count48
Formal Charge0
Complexity1470
SMILES
C/C=C(/C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(=O)C)O)OC)O)C3(CC(=O)C(=N)C(=C3O)C(=O)O)O)COC(=O)C)\N=C=S
InChI
InChI=1S/C29H36N2O16S/c1-6-14(31-10-48)27(39)47-22-16(9-43-13(4)33)45-25(28(40)8-15(34)20(30)19(24(28)36)26(37)38)21(35)23(22)46-18-7-17(42-5)29(41,11(2)32)12(3)44-18/h6,12,16-18,21-23,25,30,35-36,40-41H,7-9H2,1-5H3,(H,37,38)/b14-6-,30-20?
InChIKey
YASNRWMRDSCJIV-HHIRRDRHSA-N
Chemical Structure
2D Structure
2D structure of Senfolomycin A
CAS: 11017-36-0
CID: 135754253
Formula: C29H36N2O16S
MW: 700.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight700.7
XLogP3-0.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Exact Mass700.17855424
Monoisotopic Mass700.17855424
Topological Polar Surface Area310 Ų
Heavy Atom Count48
Formal Charge0
Complexity1470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN9904-01Senfolomycin A
HY-N13991Senfolomycin B

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