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Methylenomycin A

CAT: 0931-TN9932-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9932-01Size:10 mg
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CAS Number
52775-76-5
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Methylenomycin A is a cyclopentanone-derived antibiotic effective against both Gram-negative and Gram-positive bacteria.
Smiles
C[C@]12[C@](C)(O1)C(=O)C(=C)[C@H]2C(O)=O
Molecular Formula
C9H10O4
Molecular Weight
182.173
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1S,2R,5S)-1,5-Dimethyl-3-methylene-4-oxo-6-oxabicyclo(3.1.0)hexane-2-carboxylic acid

Methylenomycin A is a member of oxanes.

CAS Number52775-76-5
PubChem CID10899285
IUPAC Name(1S,2R,5S)-1,5-dimethyl-3-methylidene-4-oxo-6-oxabicyclo[3.1.0]hexane-2-carboxylic acid
Molecular FormulaC9H10O4
Molecular Weight182.17
XLogP0
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity346
SMILES
C[C@]12[C@@H](C(=C)C(=O)[C@]1(O2)C)C(=O)O
InChI
InChI=1S/C9H10O4/c1-4-5(7(11)12)8(2)9(3,13-8)6(4)10/h5H,1H2,2-3H3,(H,11,12)/t5-,8-,9+/m0/s1
InChIKey
HBECYYFDLZZMPL-WLGLDCGKSA-N
Chemical Structure
2D Structure
2D structure of (1S,2R,5S)-1,5-Dimethyl-3-methylene-4-oxo-6-oxabicyclo(3.1.0)hexane-2-carboxylic acid
CAS: 52775-76-5
CID: 10899285
Formula: C9H10O4
MW: 182.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass182.05790880
Monoisotopic Mass182.05790880
Topological Polar Surface Area66.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19254735-01Methylenomycin A
GTR19255892-01Methylenomycin B
MBS1089050-01Recombinant Streptomyces coelicolor Methylenomycin A resistance protein (mmr), partial

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