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Malonyl CoA (tetralithium)

CAT: 0804-HY-141473Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141473Size:10 mg
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Description
Malonyl CoA (Malonyl coenzyme A) tetralithium is a substrate for fatty acid biosynthesis and an inhibitor of fatty acid oxidation. Malonyl CoA tetralithium is also a reversible inhibitor of mitochondrial carnitine palmitoyltransferase (CPT) 1[1][2].
CAS Number
116928-84-8
Product Name Alternative
Malonyl coenzyme A (tetralithium)
UNSPSC
12352204
Target
Endogenous Metabolite; Mitochondrial Metabolism
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Solubility
10 mM in DMSO
Smiles
NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](OP(O[Li])(O[Li])=O)[C@@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(O)=O)=O)=O)=O)O)C)(O[Li])=O)(O[Li])=O)O3
Molecular Formula
C24H34Li4N7O19P3S
Molecular Weight
877.31
References & Citations
[1]B E Corkey, et at. A role for malonyl-CoA in glucose-stimulated insulin secretion from clonal pancreatic beta-cells. J Biol Chem. 1989 Dec 25;264 (36) :21608-12.
Shipping Conditions
Room temperature
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

Malonyl coenzyme A tetralithium salt
CAS Number116928-84-8
PubChem CID16217662
IUPAC Nametetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(2-carboxyacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate
Molecular FormulaC24H34Li4N7O19P3S
Molecular Weight877.4
Topological Polar Surface Area438
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count24
Rotatable Bond Count21
Heavy Atom Count58
Formal Charge0
Complexity1470
SMILES
[Li+].[Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O
InChI
InChI=1S/C24H38N7O19P3S.4Li/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31;;;;/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41);;;;/q;4*+1/p-4/t12-,17-,18-,19+,23-;;;;/m1..../s1
InChIKey
DQLXXYMNINXQSV-QTRRCMKVSA-J
Chemical Structure
2D Structure
2D structure of Malonyl coenzyme A tetralithium salt
CAS: 116928-84-8
CID: 16217662
Formula: C24H34Li4N7O19P3S
MW: 877.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight877.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count24
Rotatable Bond Count21
Exact Mass877.1483178
Monoisotopic Mass877.1483178
Topological Polar Surface Area438 Ų
Heavy Atom Count58
Formal Charge0
Complexity1470
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes