Ketcher 06261509252D 1 1.00000 0.00000 0 56 55 0 1 0 999 V2000 22.0383 -5.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9042 -5.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3064 -5.3760 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.7085 -5.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8425 -5.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5744 -5.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1723 -5.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6362 -5.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9764 -5.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4403 -5.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7705 -5.3760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3065 -4.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7705 -4.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7087 -6.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3064 -6.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6364 -4.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5746 -7.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5742 -8.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4406 -6.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3065 -7.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1726 -6.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0385 -7.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9045 -6.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7704 -7.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6365 -6.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5025 -7.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3683 -6.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2344 -7.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1004 -6.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9664 -7.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8324 -6.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6983 -7.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5644 -6.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2585 -5.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1084 -5.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1084 -4.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3585 -5.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6272 -5.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5939 -4.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4430 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5007 -5.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4430 -2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5771 -2.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5771 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7112 -0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8452 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9791 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1132 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1132 -2.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 -2.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 -3.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -4.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1132 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3811 -5.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5151 -5.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 12 3 2 0 0 0 3 15 1 0 0 0 4 14 1 6 0 0 4 5 1 0 0 0 4 6 1 0 0 0 1 7 1 0 0 0 7 3 1 0 0 0 9 5 1 0 0 0 10 6 1 0 0 0 3 10 1 0 0 0 8 11 1 0 0 0 11 2 1 0 0 0 13 11 1 0 0 0 11 16 1 0 0 0 18 17 2 0 0 0 17 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 17 14 1 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 34 37 1 0 0 0 41 38 2 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 37 41 1 0 0 0 40 42 2 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 2 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 2 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 2 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 35 9 1 0 0 0 M CHG 2 11 1 15 -1 M END > CHEBI:86182 > 1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-2-hexadecanoyl-sn-glycero-3-phosphocholine > A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl and hexadecanoyl respectively. > 3 > Phosphatidylcholine(22:6w3/16:0); Phosphatidylcholine(22:6n3/16:0); PC(22:6w3/16:0); PC(22:6n3/16:0); PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0); GPCho(22:6w3/16:0); GPCho(22:6n3/16:0); 1-Docosahexaenoyl-2-palmitoyl-sn-glycero-3-phosphocholine > C46H80NO8P > 806.10310 > 805.56216 > 0 > CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27-28,32,34,44H,6-7,9,11-13,15,17-19,22,25-26,29-31,33,35-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-27-,34-32-/t44-/m1/s1 > YALZVLCVXOASDL-FZGNBNATSA-N > LMGP01011116 $$$$