Products 188174-63-2

CAS 188174-63-2 appears in our catalog under these names: Arachidonoyl coenzyme A lithium, Arachidonoyl coenzyme A (lithium), 94%, Arachidonoyl coenzyme A lithium salt >=. Offered by: GLPBio, MedChemExpress, Sigma-Aldrich. Available pack sizes: 1mg, 10mg, 5mg, 5 mg.

Structural formula: {0} (CAS {1})

Lithium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate (CAS 188174-63-2) is a chemical compound with the molecular formula C41H65LiN7O17P3S and a molecular weight of 1059.9 g/mol. IUPAC name: lithium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate. InChIKey: PFJKRDANWCBXHE-VKSULDSYSA-M.

Identity
Molecular formulaC41H65LiN7O17P3S
Molecular weight1059.9 g/mol
IUPAC namelithium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-4-[[3-[2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
InChIKeyPFJKRDANWCBXHE-VKSULDSYSA-M
SMILES[Li+].CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=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

Computed by PubChem (NCBI)