131769854 CDK 0425242201 36 35 0 0 0 0 0 0 0 0999 V2000 18.0832 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 1.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 -0.0495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 -0.0495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9412 -0.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6392 0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8142 -0.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 -0.8745 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 17.3688 1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 1.1880 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 18.0832 -1.2870 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 3.0790 1.6005 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 10.9383 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 4.5080 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 5.2224 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 5.9370 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 8.7949 1.6005 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 8.0804 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 15 1 0 0 0 0 2 15 2 0 0 0 0 3 18 1 0 0 0 0 4 18 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 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 25 30 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 M CHG 1 3 -1 M CHG 1 5 1 M END > CHEBI:230754 > tetracosatetraenoyl carnitine > 2 > (3S)-3-[(9E,12E,15E,18E)-tetracosa-9,12,15,18-tetraenoyl]oxy-4-(trimethylazaniumyl)butanoate > C31H53NO4 > 503.768 > 503.39746 > 0 > O([C@H](C[N+](C)(C)C)CC([O-])=O)C(=O)CCCCCCC/C=C/C/C=C/C\C=C\C\C=C\CCCCC > InChI=1S/C31H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h9-10,12-13,15-16,18-19,29H,5-8,11,14,17,20-28H2,1-4H3/b10-9+,13-12+,16-15+,19-18+/t29-/m0/s1 > OVCKQONNZPULLZ-FGROWHMVSA-N $$$$