Marvin 07031310482D 57 56 0 0 1 0 999 V2000 17.4174 -3.3457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7073 -2.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9970 -3.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2868 -2.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2868 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8279 -4.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0069 -4.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5767 -3.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1277 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8380 -3.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2629 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2629 -5.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5528 -4.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8366 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1209 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4050 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6892 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9735 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2576 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5418 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8261 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1102 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3944 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6786 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9628 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5312 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8155 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3838 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -4.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8614 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1456 -3.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4298 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7140 -3.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9982 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2823 -3.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5666 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8508 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1349 -3.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4192 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7033 -3.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2718 -3.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5559 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2666 -3.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9812 -2.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6956 -3.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4100 -2.9329 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.5522 -2.9331 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.5520 -2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7657 -3.7297 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 23.1246 -3.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4100 -2.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1245 -2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 1 7 1 6 0 0 0 1 6 1 1 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 7 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 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 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 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 8 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 10 52 1 0 0 0 0 52 48 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 51 55 1 0 0 0 0 51 56 1 0 0 0 0 51 57 1 0 0 0 0 M CHG 2 51 1 54 -1 M END > CHEBI:74479 > 1-(9Z)-hexadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphocholine > A phosphatidylcholine in which the acyl groups at C-1 and C-2 are (9Z)-hexadecenoyl and (13Z,16Z)-docosadienoyl respectively. > 3 > Phosphatidylcholine(38:3); Phosphatidylcholine(16:1omega7/22:2omega6); Phosphatidylcholine(16:1/22:2); phosphatidylcholine(16:1(9Z)/22:2(13Z,16Z)); PC(38:3); PC(16:1omega7/22:2omega6); PC(16:1/22:2); PC(16:1(9Z)/22:2(13Z,16Z)); GPCho(38:3); GPCho(16:1/22:2); GPCho(16:1(9Z)/22:2(13Z,16Z)); 1-Palmitoleoyl-2-docosadienoyl-sn-glycero-3-phosphocholine; 1-(9Z-hexadecenoyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphocholine > (2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate > C46H86NO8P > 812.15070 > 811.60911 > 0 > [H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,44H,6-13,15,18,22-43H2,1-5H3/b16-14-,19-17-,21-20-/t44-/m1/s1 > IHEXWEKEFCKFEL-UTIGHQPQSA-N > LMGP01011496 $$$$