Ketcher 10231714032D 1 1.00000 0.00000 0 47 46 0 0 0 999 V2000 2.5961 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 0.2690 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5961 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8654 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3268 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7307 -0.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4614 -0.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1921 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3268 0.2690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3265 1.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 1.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 -2.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 -1.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4613 -1.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 -0.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3266 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -1.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0574 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9228 -1.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7880 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6535 -1.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5189 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5189 -2.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6535 -3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7882 -2.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9228 -3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0574 -2.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1921 -3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3267 -2.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9228 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7882 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6537 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5190 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3843 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2497 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2497 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3843 1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5190 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6537 1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7882 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9228 1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 15 3 2 0 0 0 3 19 1 0 0 0 4 17 1 6 0 0 4 5 1 0 0 0 4 6 1 0 0 0 14 7 2 0 0 0 1 8 1 0 0 0 8 3 1 0 0 0 7 9 1 0 0 0 9 5 1 0 0 0 10 6 1 0 0 0 3 10 1 0 0 0 11 7 1 0 0 0 12 2 1 0 0 0 13 17 1 0 0 0 18 13 1 0 0 0 16 13 2 0 0 0 18 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 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 26 27 2 0 0 0 32 33 1 0 0 0 34 35 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 40 1 0 0 0 11 34 1 0 0 0 40 41 2 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 41 42 1 0 0 0 M CHG 2 12 1 19 -1 M END > CHEBI:138145 > 1,2-di-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine zwitterion > A phosphatidylethanolamine 32:2 obtained by transfer of a proton from the amino to the phosphate group of 1,2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine. > 3 > 1,2-dipalmitoleoyl-sn-glycero-3-phosphoethanolamine zwitterion; 1,2-di-(9Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine > 2-azaniumylethyl (2R)-2,3-bis{[(9Z)-hexadec-9-enoyl]oxy}propyl phosphate > C37H70NO8P > 687.929 > 687.48391 > 0 > C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCCCCCC/C=C\CCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCC > InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35H,3-12,17-34,38H2,1-2H3,(H,41,42)/b15-13-,16-14-/t35-/m1/s1 > PGPMCWZMPPZJML-NAFNZUQFSA-N > 10191259 $$$$