53477842 CDK 0427212326 34 33 0 0 0 0 0 0 0 0999 V2000 16.6542 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 1.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 -0.0495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 -0.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2102 0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3852 -0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 M CHG 1 2 -1 M CHG 1 5 1 M END > CHEBI:171116 > Cervonyl carnitine > 2 > 3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-4-(trimethylazaniumyl)butanoate > C29H45NO4 > 471.682 > 471.33486 > 0 > O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC > InChI=1S/C29H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,27H,5,8,11,14,17,20,23-26H2,1-4H3/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+ > WLLMYDQRCSWAST-BUHCESQUSA-N > LMFA07070055 $$$$