Molecule: 3-oxodocosanoyl-CoA(4-)
A 3-oxo-fatty acyl-CoA arising from deprotonation of the phosphate and diphosphate functions of 3-oxodocosanoyl-CoA; principal microspecies at pH 7.3.
Synonyms for 3-oxodocosanoyl-CoA(4-) :
3-ketodocosanoyl-CoA(4-)
3-ketodocosanoyl-coenzyme A(4-)
3-oxobehenoyl-CoA
3-oxodocosanoyl-CoA
3-oxodocosanoyl-coenzyme A(4-)
Molecular Formula: C43H72N7O18P3S
Molecular wt: 1100.05400 g/mole
Charge: -4
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)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)n1cnc2c(N)ncnc12
InChIKey: RKCOGGUHKPTOQJ-GNSUAQHMSA-J
InChI=1S/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-30,32,36-38,42,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/t32-,36-,37-,38+,42-/m1/s1
Sample reactions for this molecule: