CDK 1023151744 59 58 0 0 0 0 0 0 0 0999 V2000 18.6065 -10.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9012 -10.4988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1961 -10.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3116 -10.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4909 -10.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9012 -11.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0168 -10.0917 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.4240 -10.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6097 -9.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7220 -9.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4271 -10.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1323 -9.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8375 -10.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4303 -10.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4901 -9.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5427 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9159 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3448 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7737 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4882 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9172 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6317 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3462 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0606 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7751 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4896 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2041 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9186 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6330 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3475 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0620 -10.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7764 -10.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7764 -9.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 -11.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -11.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0407 -11.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -11.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4696 -11.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 -11.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8985 -11.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6129 -11.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3275 -11.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0419 -11.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7565 -11.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4708 -11.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1854 -11.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8998 -11.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6144 -11.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3287 -11.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0434 -11.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7577 -11.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4723 -11.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1866 -11.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1865 -12.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8770 -11.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 2 6 1 6 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 5 1 0 0 0 0 36 37 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 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 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 6 1 0 0 0 0 57 58 2 0 0 0 0 2 59 1 1 0 0 0 M CHG 1 8 -1 M CHG 1 13 1 M END > CHEBI:89100 > PC(20:1(11Z)/20:2(11Z,14Z)) > 2 > Phosphatidylcholine(40:3); Phosphatidylcholine(20:1w9/20:2w6); Phosphatidylcholine(20:1n9/20:2n6); Phosphatidylcholine(20:1/20:2); PC(40:3); PC(20:1w9/20:2w6); PC(20:1n9/20:2n6); PC(20:1/20:2); PC aa C40:3; Lecithin; GPCho(40:3); GPCho(20:1w9/20:2w6); GPCho(20:1n9/20:2n6); GPCho(20:1/20:2); 1-Eicosenoyl-2-eicosadienoyl-sn-glycero-3-phosphocholine; (2-{[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > C48H90NO8P > 840.206 > 839.64041 > 0 > C([C@@](COC(CCCCCCCCC/C=C\CCCCCCCC)=O)(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,46H,6-14,16,18-19,24-45H2,1-5H3/b17-15-,22-20-,23-21-/t46-/m1/s1 > ZGKPOUQXLZVCDF-GPPISGLTSA-N > PHOSPHATIDYLCHOLINE > Lecithin > 24023812 $$$$