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Valilactone

CAT: 0013-GTR19196214-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196214-02Size:1 mg
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Description
Valilactone is a natural product inhibitor of fatty acid synthase (FASN), isolated from soil actinomycetes. It is a valuable research tool for studying lipid metabolism and has been utilized in both in vitro and in vivo models to investigate metabolic disorders and oncology.
CAS Number
113276-96-3
Field of Research
Metabolism Research
Smiles
CCCCCC[C@H]1[C@H] (C[C@H] (CCCCC) OC (=O) [C@@H] (NC=O) C (C) C) OC1=O
Molecular Formula
C22H39NO5
Molecular Weight
397.556
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Valilactone

Valilactone is an alpha-amino acid ester.

CAS Number113276-96-3
PubChem CID195004
IUPAC Name[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]heptan-2-yl] (2S)-2-formamido-3-methylbutanoate
Molecular FormulaC22H39NO5
Molecular Weight397.5
XLogP6.4
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count28
Formal Charge0
Complexity480
SMILES
CCCCCC[C@H]1[C@@H](OC1=O)C[C@H](CCCCC)OC(=O)[C@H](C(C)C)NC=O
InChI
InChI=1S/C22H39NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h15-20H,5-14H2,1-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1
InChIKey
WWGVIIVMPMBQFV-MUGJNUQGSA-N
Chemical Structure
2D Structure
2D structure of Valilactone
CAS: 113276-96-3
CID: 195004
Formula: C22H39NO5
MW: 397.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass397.28282334
Monoisotopic Mass397.28282334
Topological Polar Surface Area81.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity480
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

Alternative Products

CatalogName
HY-124258Valilactone

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