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Δ7 (Z) -C14-HSL

CAT: 0931-T84485-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84485-01Size:10 mg
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CAS Number
482598-46-9
Target
Others
Related Pathways
Others
Bioactivity
Δ7 (Z) -C14-HSL (Compound 12), an immunosuppressive agent, inhibits the proliferation of mouse splenic cells, exhibiting an IC 50 of 17 μM. It holds promise for exploring its role as a molecular mechanism in TNF-R-driven immune diseases, including autoimmune disorders like psoriasis, rheumatoid arthritis, and type 1 diabetes [1].
Smiles
N(C(CC(CCC/C=C\CCCCCC)=O)=O)[C@@H]1C(=O)OCC1
Molecular Formula
C18H29NO4
Molecular Weight
323.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-3-oxo-tetradec-7Z-enoyl-L-Homoserine lactone
CAS Number482598-46-9
PubChem CID10881846
IUPAC Name(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
Molecular FormulaC18H29NO4
Molecular Weight323.4
XLogP4.3
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count23
Formal Charge0
Complexity417
SMILES
CCCCCC/C=C\CCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C18H29NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,16H,2-6,9-14H2,1H3,(H,19,21)/b8-7-/t16-/m0/s1
InChIKey
MGGGOCSKDLGISA-PTZVLDCSSA-N
Chemical Structure
2D Structure
2D structure of N-3-oxo-tetradec-7Z-enoyl-L-Homoserine lactone
CAS: 482598-46-9
CID: 10881846
Formula: C18H29NO4
MW: 323.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass323.20965841
Monoisotopic Mass323.20965841
Topological Polar Surface Area72.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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