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Acetyl Coenzyme A, Lithium salt

CAT: 0013-GTR19240640-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240640-01Size:10 mg
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Description
Acetyl Coenzyme A is a key metabolic intermediate in the citric acid cycle, fatty acid synthesis, and acetylation. Widely used in biochemical research and enzymatic studies.
CAS Number
32140-51-5
Product Name Alternative
Acetyl-S-CoA Li3, Acetyl-CoA 3Li
Purity
≥ 95%
Form
Powder to crystalline powder
Solubility
Soluble in water
Smiles
O=C (CCNC (C (C (C) (COP ([O-]) (OP ([O-]) (OCC (C (C1O) OP (O) ([O-]) =O) OC1N (C2=NC=N3) C=NC2=C3N) =O) =O) C) O) =O) NCCSC (C) =O.[Li+]
Molecular Formula
C23H35N7O17P3S · xLi
Molecular Weight
809.57 g/mol (free acid basis)
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
Acetyl Coenzyme A, Lithium salt

Chemical Information

acetylcoenzyme a, trilithium salt
CAS Number32140-51-5
PubChem CID16218870
IUPAC Nametrilithium;[(2R,3S,4R,5R)-2-[[[[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] hydrogen phosphate
Molecular FormulaC23H35Li3N7O17P3S
Molecular Weight827.5
Topological Polar Surface Area397
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count22
Rotatable Bond Count20
Heavy Atom Count54
Formal Charge0
Complexity1360
SMILES
[Li+].[Li+].[Li+].CC(=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/C23H38N7O17P3S.3Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;;;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38);;;/q;3*+1/p-3/t13-,16-,17-,18+,22-;;;/m1.../s1
InChIKey
FTRFBNATWBKIQU-JHJDYNLLSA-K
Chemical Structure
2D Structure
2D structure of acetylcoenzyme a, trilithium salt
CAS: 32140-51-5
CID: 16218870
Formula: C23H35Li3N7O17P3S
MW: 827.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight827.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count22
Rotatable Bond Count20
Exact Mass827.1503101
Monoisotopic Mass827.1503101
Topological Polar Surface Area397 Ų
Heavy Atom Count54
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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