3-pentenoyl-CoA

Chemical Formula:

C₂₆H₃₈N₇O₁₇P₃S

Molecular Weight:

845.604 Daltons

Monoisotopic Mass:

849.1570731803 Daltons

SMILES:

CC=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/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h4-5,13-15,19-21,25,36-37H,6-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b5-4+/t15-,19-,20-,21+,25-/m1/s1

InChIKey:

IKCIAVDGLNYEPT-ITLFWOPZSA-J

Databases

MetaCyc: CPD-20684

PubChem (CID): 131841550