CAS 5863-40-1 MFCD00063449-Desulfo-coenzyme a -LabNovo

SMILES: CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.[Li+]

Mol. Formula	C21H35N7O16P3.Li
Mol. Weight	735.47

Chemical Name	Desulfo-coenzyme A
Synonym	Dethiocoenzyme A coenzyme A, desulfo desulfo-CoA desulfo-coenzyme A
MDL Number	MFCD00063449
InChIKey	ILWZMFJBPIYQKW-IBOSZNHHSA-N
PubChem Substance ID	165363
InChI	InChI=1S/C21H36N7O16P3/c1-4-23-12(29)5-6-24-19(32)16(31)21(2,3)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/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(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

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