Ketcher 01221611532D 1 1.00000 0.00000 0 54 53 0 1 0 999 V2000 13.6319 -11.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7667 -11.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9018 -11.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4973 -11.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3629 -11.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0934 -11.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9586 -11.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8238 -11.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6611 -11.1062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5546 -11.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6894 -10.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5546 -10.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2281 -11.0780 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.2281 -10.0787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4868 -12.0432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4402 -11.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -11.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0362 -11.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1710 -11.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3055 -11.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7095 -11.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0365 -10.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8439 -11.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8442 -10.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9789 -9.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9789 -8.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 -8.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8444 -7.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7098 -6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5752 -7.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4405 -6.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 -7.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1712 -6.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0365 -7.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6326 -12.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1711 -12.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 -13.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7672 -13.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9019 -12.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0364 -13.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4404 -12.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7673 -14.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5748 -13.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -14.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7097 -14.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7097 -15.5755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5752 -16.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5752 -17.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4407 -17.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3060 -17.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 -17.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0366 -17.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9021 -17.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7673 -17.0734 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 9 12 1 0 0 0 5 13 1 0 0 0 13 6 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 16 17 1 0 0 0 18 22 2 0 0 0 18 19 1 0 0 0 20 16 1 0 0 0 19 20 1 0 0 0 17 21 1 0 0 0 21 23 2 0 0 0 18 3 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 1 0 0 0 29 28 1 0 0 0 30 29 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 1 35 1 6 0 0 36 37 1 0 0 0 38 42 2 0 0 0 38 39 1 0 0 0 40 36 1 0 0 0 39 40 1 0 0 0 37 41 1 0 0 0 41 43 2 0 0 0 38 35 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 47 46 1 0 0 0 48 47 1 0 0 0 49 48 1 0 0 0 50 49 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 53 52 1 0 0 0 54 53 1 0 0 0 M CHG 2 9 1 15 -1 M END > CHEBI:86330 > 1,2-di-[(6Z)-octadecenoyl]-sn-glycero-3-phosphocholine > A 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine in which the acyl group specified at positions 1 and 2 is (6Z)-octadecenoyl. > 3 > 1,2-dipetroselenoyl-sn-glycero-3-phosphocholine > (2R)-2,3-bis{[(6Z)-octadec-6-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate > C44H84NO8P > 786.115 > 785.59346 > 0 > [C@@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)(COP(OCC[N+](C)(C)C)(=O)[O-])OC(=O)CCCC/C=C\CCCCCCCCCCC > InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h26-29,42H,6-25,30-41H2,1-5H3/b28-26-,29-27-/t42-/m1/s1 > KLJBLQFSKZACGJ-MMKOEKFTSA-N > LMGP01010868 > 25502724 $$$$