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Palmitoyl coenzyme A (lithium)

CAT: 0804-HY-134427-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-134427-01Size:1 mg
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Description
Palmitoyl coenzyme A lithium is an acyl-CoA thioester that can be transported into the mitochondrial matrix via the carnitine shuttle system and is involved in β-oxidation. Palmitoyl coenzyme A lithium can also be used as a substrate for sphingosine biosynthesis[1][2].
CAS Number
188174-64-3
Product Name Alternative
Palmitoyl CoA (lithium)
UNSPSC
12352204
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Biochemical Assay Reagents
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/palmitoyl-coenzyme-a-lithium.html
Purity
96.00
Solubility
H2O : 50 mg/mL (ultrasonic; warming)
Smiles
O[C@H]1[C@@H](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CCCCCCCCCCCCCCC)=O)=O)=O)(O)=O)(O)=O)N2C3=NC=NC(N)=C3N=C2.[x].[Li]
Molecular Formula
C37H66N7O17P3S.xLi
Precautions
H302, H315, H319, H335
References & Citations
[1]A G Goodridge, et al. Regulation of the activity of acetyl coenzyme A carboxylase by palmitoyl coenzyme A and citrate. J Biol Chem. 1972 Nov 10;247 (21) :6946-52.|[2]L A Fahien, et al. Regulation of glutamate dehydrogenase by palmitoyl-coenzyme A. Arch Biochem Biophys. 1981 Nov;212 (1) :247-53.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Enzyme
Clinical Information
No Development Reported

Chemical Information

n-Hexadecanoyl coenzyme a lithium salt

See also: Coenzyme A (annotation moved to); palmitoyl CoA (annotation moved to).

CAS Number188174-64-3
PubChem CID71308765
IUPAC Namelithium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexadecanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
Molecular FormulaC37H65LiN7O17P3S
Molecular Weight1011.9
Topological Polar Surface Area392
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count22
Rotatable Bond Count34
Heavy Atom Count66
Formal Charge0
Complexity1640
SMILES
[Li+].CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O
InChI
InChI=1S/C37H66N7O17P3S.Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44;/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52);/q;+1/p-1/t26-,30-,31-,32+,36-;/m1./s1
InChIKey
BSAYABVAJQBKKB-NNGKVBCISA-M
Chemical Structure
2D Structure
2D structure of n-Hexadecanoyl coenzyme a lithium salt
CAS: 188174-64-3
CID: 71308765
Formula: C37H65LiN7O17P3S
MW: 1011.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1011.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count22
Rotatable Bond Count34
Exact Mass1011.35305423
Monoisotopic Mass1011.35305423
Topological Polar Surface Area392 Ų
Heavy Atom Count66
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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