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AG008YIQ

102029-52-7 | Acetoacetyl coenzyme A trisodium salt tetrahydrate

Chemical structure of Acetoacetyl coenzyme A trisodium salt tetrahydrate, CAS 102029-52-7
AG008YIQ
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CAS Number 102029-52-7
Catalog Number AG008YIQ(AGN-PC-0OR5P3)
Chemical Name Acetoacetyl coenzyme A trisodium salt tetrahydrate
IUPAC Name trisodium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
InChI InChI=1S/C25H40N7O18P3S.3Na/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32;;;/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41);;;/q;3*+1/p-3
InChI Key KJJYKBIEKQJXHM-UHFFFAOYSA-K
MDL Number MFCD00084766
Molecular Formula C25H37N7Na3O18P3S
Molecular Weight 917.5530
SMILES O=C(NCCSC(=O)CC(=O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)[O-])O)n1cnc2c1ncnc2N)[O-])[O-])(C)C)O.[Na+].[Na+].[Na+].O.O.O
Synonyms
102029-52-7, DTXSID00657518, PUBCHEM_44134488, Acetoacetyl coenzyme A, KJJYKBIEKQJXHM-UHFFFAOYSA-K,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited