Mrv0541 10241215412D 55 54 0 0 1 0 999 V2000 22.3263 5.4651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0408 5.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0408 6.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7552 7.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7552 7.9401 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.9302 7.9401 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 24.5802 7.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7552 8.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4697 9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4697 10.0026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7552 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0408 10.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3263 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3263 11.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6118 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8974 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1829 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4684 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7539 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0395 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6105 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8961 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8961 9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1816 8.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1816 7.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4671 7.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4671 6.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7526 6.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7526 5.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0382 5.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1842 10.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8987 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8987 9.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6131 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3276 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0421 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7565 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4710 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1855 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8999 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6144 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3289 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0434 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7578 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4723 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1868 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9012 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6157 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3302 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0447 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3302 9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7552 5.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4697 5.8776 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 23.7552 4.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 10 32 1 1 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 2 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 M CHG 2 6 -1 54 -1 M END > M2MDB004002 > M2MDB > CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCCCCCCC(C)C > InChI=1S/C43H82NO10P/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-41(45)51-35-39(36-52-55(49,50)53-37-40(44)43(47)48)54-42(46)34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-38(2)3/h11-12,38-40H,4-10,13-37,44H2,1-3H3,(H,47,48)(H,49,50)/p-2/b12-11-/t39-,40?/m1/s1 > QXULAZJRRRBYEV-AWQHUTMPSA-L > C43H80NO10P > 802.0698 > 801.551984297 > 7 > 95.68079111083384 > 0 > 1 > -2 > 0 > 2-amino-3-{[(2R)-2-[(17-methyloctadecanoyl)oxy]-3-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}propanoate > 8.13 > 11.196878865232605 > -7.20 > 0 > 0 > -1 > 2.17839601565545 > 1.4680339991787514 > 9.376604467850063 > 177.34 > 230.61840000000007 > 43 > 0 > 5.29e-05 g/l > 2-amino-3-{[(2R)-2-[(17-methyloctadecanoyl)oxy]-3-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}propanoate > 0 > ECMDB23612 > PS(18:1(9Z)/19:iso) $$$$