Molecule: 3'-dephospho-CoA(2-)
Dianion of 3'-dephospho-CoA.
Synonyms for 3'-dephospho-CoA(2-) :
3'-dephospho-CoA
Molecular Formula: C21H33N7O13P2S
Molecular wt: 685.53800 g/mole
Charge: -2
SMILES: CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS
InChIKey: KDTSHFARGAKYJN-IBOSZNHHSA-L
InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/p-2/t11-,14-,15-,16+,20-/m1/s1
Sample reactions for this molecule: