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Coenzyme A	Predict NMR spectrum	RN:  85-61-0 MF:  C21H36N7O16P3S MW:  767.53542
InChI:  1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16-,20-/m1/s1 InChIKey:  RGJOEKWQDUBAIZ-HDCXRZRFSA-N	H donor:  9 H acceptor:  23 Rotatable bond:  18 Stereocenter:  7	cLogP:  -7.911 cLogS:  0.116 Polar surface:  414.79
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