Ketcher 06081511462D 1 1.00000 0.00000 0 53 52 0 1 0 999 V2000 11.6232 -4.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2154 -3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0738 -3.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9323 -3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7908 -3.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6489 -3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5072 -3.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3657 -3.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2154 -2.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3569 -3.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7562 -3.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8893 -3.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6232 -3.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4901 -3.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0222 -3.2244 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0222 -2.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1553 -3.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2411 -3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2579 -4.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9488 -5.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8071 -4.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6657 -5.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5240 -4.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4089 -5.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9748 -3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9748 -4.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1079 -3.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1079 -5.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2883 -3.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4215 -3.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5545 -3.2244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -3.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5545 -2.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 -5.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 -6.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3896 -6.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3896 -7.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2726 -8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2726 -9.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1557 -9.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3407 -4.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1894 -10.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3397 -11.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6543 -7.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5376 -8.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5376 -9.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4208 -9.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4481 -10.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0813 -12.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2228 -12.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0645 -11.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3476 -12.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0222 -4.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 10 2 1 0 0 0 9 2 2 0 0 0 12 11 1 0 0 0 13 11 1 0 0 0 13 1 1 1 0 0 13 14 1 0 0 0 10 14 1 0 0 0 12 15 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 4 3 1 0 0 0 4 5 1 0 0 0 6 5 1 0 0 0 6 7 1 0 0 0 8 7 1 0 0 0 8 18 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 19 1 0 0 0 26 25 1 0 0 0 27 25 2 0 0 0 28 26 1 0 0 0 18 27 1 0 0 0 19 28 1 0 0 0 17 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 35 34 1 0 0 0 1 34 1 0 0 0 41 34 2 0 0 0 36 35 1 0 0 0 36 37 1 0 0 0 38 37 1 0 0 0 38 39 1 0 0 0 40 39 1 0 0 0 40 42 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 43 1 0 0 0 50 49 1 0 0 0 51 49 2 0 0 0 52 50 1 0 0 0 42 51 1 0 0 0 43 52 1 0 0 0 15 53 1 0 0 0 M CHG 2 31 1 53 -1 M END > CHEBI:85680 > 1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion > A 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion in which the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. > 3 > 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion; 1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine > (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(dimethylazaniumyl)ethyl phosphate > C43H82NO8P > 772.08680 > 771.57781 > 0 > CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH+](C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C43H82NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3,(H,47,48)/b21-19-,22-20-/t41-/m1/s1 > XHPZRQBHFOVLEJ-UNUIOPIBSA-N > 12431977; 15927961 $$$$