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Acetyl Coenzyme A Lithium Salt

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Standard English name
Cas No. 32140-51-5
Alias lithium (2R,3S,4R,5R)-2-(((((((R)-4-((3-((2-(acetylthio)ethyl)amino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy)oxidophosphoryl)oxy)oxidophosphoryl)oxy)methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl hydrogen phosphate
Canonical Smiles [Li+].[Li+].[Li+].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])(O)=O)N1C=NC2=C(N)N=CN=C12
MDL No. MFCD00167406
Exact Mass 827.15031
Smiles CC(SCCNC(CCNC([C@H](O)C(C)(COP([O-])(OP([O-])(OC[C@@H]1[C@@H](OP(O)([O-])=O)[C@@H](O)[C@H](N2C=NC3=C(N)N=CN=C32)O1)=O)=O)C)=O)=O)=O.[Li+].[Li+].[Li+]
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Dangerous Goods GHS07
Hazard Category H315;H319;H335
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Safety Instructions P261;P264;P271;P280;P302+P352;P305+P351+P338
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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
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