2,4,6 octatrienedioyl-CoA
Chemical Formula:
C29H37N7O19P3S
Molecular Weight:
912.628 Daltons
Monoisotopic Mass:
917.1469024244999 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC=CC=CC(=O)[O-])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/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-10-9-18(37)31-11-12-59-20(40)8-6-4-3-5-7-19(38)39)14-52-58(49,50)55-57(47,48)51-13-17-23(54-56(44,45)46)22(41)28(53-17)36-16-35-21-25(30)33-15-34-26(21)36/h3-8,15-17,22-24,28,41-42H,9-14H2,1-2H3,(H,31,37)(H,32,43)(H,38,39)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-5/b4-3+,7-5+,8-6-/t17-,22-,23-,24+,28-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-18440
PubChem (CID):
102515421
MetaNetX:
MNXM165602