Marvin 01191115272D 58 60 0 0 1 0 999 V2000 22.3648 -11.7094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6973 -11.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1099 -12.4940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0298 -11.7094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2848 -12.4940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5948 -13.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6190 -15.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3618 -16.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9045 -16.1629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1901 -15.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4756 -16.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 -14.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1901 -14.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 -13.6879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5040 -13.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2184 -13.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6474 -12.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5204 -11.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 -12.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3454 -11.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2184 -12.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5039 -12.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3618 -12.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0118 -12.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6618 -12.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1868 -11.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1868 -12.8628 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.8368 -11.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8368 -12.8628 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.1868 -12.0378 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.8368 -12.0378 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.2452 -11.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7998 -13.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9748 -13.9865 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.6249 -13.9865 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 20.7998 -13.9865 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.7998 -14.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1494 -11.4545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7625 -12.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4850 -10.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4769 -11.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7625 -12.8315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3054 -10.7870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1915 -12.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4771 -13.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1915 -12.8314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.9059 -11.5939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0763 -15.7504 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.7907 -16.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7907 -16.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5052 -15.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2197 -16.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9342 -15.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6486 -16.1632 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.2197 -16.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6486 -16.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3632 -15.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5295 -16.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 43 41 1 0 0 0 0 45 42 2 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 46 45 1 0 0 0 0 48 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 52 55 1 6 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 54 58 1 0 0 0 0 M CHG 5 27 -1 29 -1 34 -1 35 -1 54 1 M END > CHEBI:60932 > (R)-carnitinyl-CoA(3-) > An acyl-CoA oxoanion obtained from (R)-carnitinyl-CoA betaine in which three protons have been removed from the phosphate groups. > 3 > R-carnitinyl-CoA(3-); L-carnitinyl-CoA(3-); (R)-carnitinyl-CoA > C28H46N8O18P3S > 907.69400 > 907.18801 > -3 > CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C[N+](C)(C)C > 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-/m1/s1 > BBRISSLDTUHWKG-PVMHLSDZSA-K > L-CARNITINYL-COA $$$$