| CAS Number | 108347-97-3 |
| Catalog Number | AG008YZR(AGN-PC-0OYCIM) |
| Chemical Name | Coenzyme A, S-(hydrogen butanedioate), xsodium salt |
| IUPAC Name | 4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoate |
| InChI | InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-2/t13-,18-,19-,20?,24-/m1/s1 |
| InChI Key | VNOYUJKHFWYWIR-FZEDXVDRSA-L |
| MDL Number | MFCD00057770 |
| Molecular Formula | C25H40N7NaO19P3S |
| Molecular Weight | 890.5967 |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O.[Na] |
| Synonyms | 108347-97-3,
Succinyl coenzyme A sodium salt,
CTK8F0116,
DTXSID90849581,
RT-015812,
diphosphadocosan-22-oate (non-preferred name),
1-{(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-[(hydroxyphosphinato)oxy]oxolan-2-yl}-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14,19-pentaoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-,
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