D-carnitinyl-CoA
Chemical Formula:
C28H46N8O18P3S
Molecular Weight:
907.695 Daltons
Monoisotopic Mass:
911.2176620644 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C[N+](C)(C)C)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/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/p-3/t16-,17+,21+,22+,23-,27+/m0/s1
InChIKey:
Databases
MetaCyc:
D-CARNITINYL-COA
RefMet:
Carnityl-CoA
ChEBI:
62047
Seed:
cpd15439
MetaNetX:
MNXM3411