LMFA07050150 LIPID_MAPS_STRUCTURE_DATABASE 58 60 0 0 0 999 V2000 17.9100 -27.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1045 -27.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6023 -28.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2989 -27.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6067 -28.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1875 -29.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7689 -32.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6654 -33.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9066 -33.1453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 -32.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1822 -33.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 -31.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 -31.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 -30.1584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2165 -30.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0786 -29.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8032 -28.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4431 -27.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 -28.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4387 -27.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0786 -28.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 -28.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6654 -28.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6567 -28.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6480 -28.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6610 -27.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6610 -29.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6523 -27.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6523 -29.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6610 -28.1669 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.6523 -28.1669 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.3520 -27.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0214 -29.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0257 -30.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0170 -30.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0214 -30.5187 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.0214 -31.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8568 -27.4630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5970 -28.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2619 -26.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4592 -27.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5970 -29.1248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2522 -26.6574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3213 -28.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4592 -29.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3213 -29.1247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1835 -27.6312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5277 -32.6475 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3898 -34.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3898 -33.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2523 -32.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1144 -33.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9767 -32.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8390 -33.1457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1144 -34.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8389 -34.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7013 -32.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9021 -33.6961 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 2 27 -1 54 1 M END > LMFA07050150 > (R)-carnitinyl-CoA betaine > 2R-hydroxy-4-trimethylammonio-butanoyl-CoA > C28H49N8O18P3S > 910.21 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > L-CARNITINYL-COA INNER SALT;L-carnitinyl-CoA betaine;R-carnitinyl-CoA inner salt > BBRISSLDTUHWKG-PVMHLSDZSA-N > 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)/t16-,17-,21-,22-,23+,27-/m1/s1 > [C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP([O-])(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C[C@@H](O)C[N+](C)(C)C)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 41482 > - > - > - > 5287894 > - > - > - > - > - > - > - $$$$