Ketcher 07131510552D 1 1.00000 0.00000 0 55 54 0 1 0 999 V2000 10.7344 -5.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8682 -4.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0017 -5.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6011 -4.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4674 -5.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2007 -5.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0538 -4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9204 -5.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7871 -4.5157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7874 -3.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6535 -5.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3341 -4.5145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3344 -3.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6030 -5.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6532 -4.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 -5.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 -4.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 -6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0692 -5.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0692 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 -5.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5355 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6688 -4.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6688 -6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 -5.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 -4.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 -6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1351 -4.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1351 -6.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 -6.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1351 -7.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2686 -8.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0675 -6.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9341 -6.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8005 -6.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6670 -6.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5335 -6.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1329 -3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9995 -3.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9995 -4.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1329 -5.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1329 -6.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2664 -6.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3998 -6.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2664 -3.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3999 -3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2010 -6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3344 -6.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4681 -6.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6015 -7.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6015 -6.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5334 -3.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6668 -3.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 4 1 1 0 0 0 5 4 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 9 11 1 0 0 0 12 6 1 0 0 0 12 13 2 0 0 0 12 5 1 0 0 0 12 14 1 0 0 0 9 15 1 0 0 0 18 16 1 0 0 0 19 17 1 0 0 0 20 18 1 0 0 0 21 19 1 0 0 0 21 20 1 0 0 0 24 22 1 0 0 0 25 23 1 0 0 0 16 24 1 0 0 0 17 25 1 0 0 0 28 26 1 0 0 0 29 27 1 0 0 0 22 28 1 0 0 0 23 29 1 0 0 0 26 30 1 0 0 0 27 31 1 0 0 0 30 3 1 0 0 0 1 32 1 6 0 0 31 33 1 0 0 0 33 34 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 46 1 0 0 0 40 41 1 0 0 0 41 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 40 47 1 0 0 0 47 48 1 0 0 0 35 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 32 53 1 0 0 0 53 52 2 0 0 0 53 51 1 0 0 0 48 54 1 0 0 0 54 55 1 0 0 0 M CHG 2 9 1 14 -1 M END > CHEBI:86439 > 1-octadecyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine > A phosphatidylcholine O-38:2 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and (11Z,14Z)-eicosadienoyl respectively. > 3 > PC(O-18:0/20:2(11Z,14Z)) > (2R)-2-{[(11Z,14Z)-icosa-11,14-dienoyl]oxy}-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate > C46H90NO7P > 800.18310 > 799.64549 > 0 > CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C46H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,45H,6-13,15,17-19,21,23-44H2,1-5H3/b16-14-,22-20-/t45-/m1/s1 > ZPMPMVZOAKWOIA-QJXAMRCTSA-N > LMGP01020210 $$$$