4-(phosphooxy)pentanoyl-CoA

Chemical Formula:

C₂₆H₃₉N₇O₂₁P₄S

Molecular Weight:

941.583 Daltons

Monoisotopic Mass:

947.133968275 Daltons

SMILES:

CC(OP([O-])([O-])=O)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

InChI:

1S/C26H45N7O21P4S/c1-14(52-55(39,40)41)4-5-17(35)59-9-8-28-16(34)6-7-29-24(38)21(37)26(2,3)11-50-58(47,48)54-57(45,46)49-10-15-20(53-56(42,43)44)19(36)25(51-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,4-11H2,1-3H3,(H,28,34)(H,29,38)(H,45,46)(H,47,48)(H2,27,30,31)(H2,39,40,41)(H2,42,43,44)/p-6/t14?,15-,19-,20-,21+,25-/m1/s1

InChIKey:

PEJFDCWHHVWOCK-XMWLYHNJSA-H

Databases

MetaCyc: CPD-20683

PubChem (CID): 131841583