Ketcher 06261513552D 1 1.00000 0.00000 0 58 57 0 1 0 999 V2000 22.3910 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2569 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6589 -4.5114 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.0611 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1950 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9270 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5249 -5.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9888 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3289 -5.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7929 -5.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1231 -4.5114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6591 -3.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1231 -3.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0611 -6.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6589 -5.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9890 -4.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4630 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5970 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7309 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8649 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1330 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4010 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8030 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4630 -3.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -6.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 -6.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 -7.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -8.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -9.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3391 -9.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8589 -7.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8589 -8.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7251 -7.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7251 -9.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5913 -7.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5913 -8.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9928 -7.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1268 -7.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9928 -9.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1268 -8.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2607 -7.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3946 -7.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2608 -9.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3948 -8.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5286 -7.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6626 -7.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5289 -9.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6628 -8.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7967 -7.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9308 -7.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7969 -9.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0649 -7.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1992 -7.5128 0.0000 O 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 17 9 1 0 0 0 17 29 2 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 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 27 26 1 0 0 0 28 27 2 0 0 0 30 28 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 35 34 1 0 0 0 38 36 1 0 0 0 39 37 1 0 0 0 40 38 1 0 0 0 41 39 1 0 0 0 41 40 1 0 0 0 42 36 1 0 0 0 43 42 1 0 0 0 44 37 1 0 0 0 45 44 1 0 0 0 46 43 1 0 0 0 47 46 1 0 0 0 48 45 1 0 0 0 49 48 1 0 0 0 50 47 1 0 0 0 51 50 1 0 0 0 52 49 1 0 0 0 53 52 1 0 0 0 54 51 1 0 0 0 55 54 1 0 0 0 56 53 1 0 0 0 57 55 1 0 0 0 58 57 2 0 0 0 57 14 1 0 0 0 M CHG 2 11 1 15 -1 M END > CHEBI:86189 > 1-[(11Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine > A phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are (11Z)-octadecenoyl and docosanoyl respectively. > 3 > Phosphatidylcholine(18:1w7/22:0); Phosphatidylcholine(18:1n7/22:0); PC(18:1w7/22:0); PC(18:1n7/22:0); PC(18:1(11Z)/22:0); PC(18:1(11Z)/22:0); GPCho(18:1w7/22:0); GPCho(18:1n7/22:0); 1-Vaccenoyl-2-behenoyl-sn-glycero-3-phosphocholine > (2R)-2-(docosanoyloxy)-3-{[(11Z)-octadec-11-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate > C48H94NO8P > 844.23560 > 843.67171 > 0 > CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h17,19,46H,6-16,18,20-45H2,1-5H3/b19-17-/t46-/m1/s1 > DOKTZAMOHSCUOQ-VGURBHAXSA-N > LMGP01010845 $$$$