Octanoyl coenzyme a lithium salt hydrate

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Catalog Number
ACM324518209
Product Name
Octanoyl coenzyme a lithium salt hydrate
Structure
Structure
CAS
324518-20-9
Category
Heterocyclic Organic Compound
Synonyms
octanoylcoenzymealithiumsalthydrate, 324518-20-9
IUPAC Name
lithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-4-[[3-(2-octanoylsulfanylethylamino)-3-oxopropyl]amino]-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate;hydrate
Molecular Weight
917.682
Molecular Formula
C29H49N7O17P3S.Li.H2O
Canonical SMILES
[Li+].CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)[O-])O.O
InChI Key
IPSMFNYZOJIHQV-WLJQAKOVSA-M
H-Bond Acceptor
23
H-Bond Donor
9
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