Ketcher 12061814052D 1 1.00000 0.00000 0 38 37 0 1 0 999 V2000 16.7664 -10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6357 -10.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0277 -10.2246 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.4195 -10.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5502 -10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2888 -10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8113 -10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8969 -10.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6808 -10.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1583 -10.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9421 -10.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5051 -10.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7759 -9.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0277 -9.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4196 -11.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0277 -11.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 -10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 -10.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3339 -10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 -10.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5951 -10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -10.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -10.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -8.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5951 -9.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 -8.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3339 -9.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2033 -8.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 -9.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -9.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5502 -12.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6811 -11.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8117 -12.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9422 -11.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 -12.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 -13.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5502 -13.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2036 -11.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 14 3 2 0 0 0 3 16 1 0 0 0 4 15 1 6 0 0 4 5 1 0 0 0 4 6 1 0 0 0 13 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 11 17 1 0 0 0 17 18 1 0 0 0 18 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 30 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 23 30 1 0 0 0 15 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 31 37 2 0 0 0 35 38 1 0 0 0 M CHG 2 12 1 16 -1 M END > CHEBI:142750 > 1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphoethanolamine > 2 > PE(16:0/5-oxo-5:0); 1-hexadecanoyl-2-(5-oxopentanoyl)-sn-phosphatidylethanolamine; 1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphoethanolamine > C26H50NO9P > 551.651 > 551.32232 > 0 > C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCCC(=O)[H])=O)COC(=O)CCCCCCCCCCCCCCC > InChI=1S/C26H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(29)33-22-24(36-26(30)18-15-16-20-28)23-35-37(31,32)34-21-19-27/h20,24H,2-19,21-23,27H2,1H3,(H,31,32)/t24-/m1/s1 > NMWPZVLQFDIILH-XMMPIXPASA-N > 17381426 $$$$