Mrv0541 10241215422D 55 54 0 0 1 0 999 V2000 28.7565 -14.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4710 -14.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4710 -13.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1855 -13.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1855 -12.4776 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.3605 -12.4776 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 31.0105 -12.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1855 -11.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8999 -11.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8999 -10.4151 0.0000 C 0 0 1 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 29.4710 -10.4151 0.0000 O 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 28.7565 -9.1776 0.0000 O 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 27.3276 -10.0026 0.0000 C 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 25.8987 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1842 -10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4697 -10.0026 0.0000 C 0 0 0 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 C 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 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 17.3250 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6144 -10.0026 0.0000 O 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 32.3289 -11.2401 0.0000 O 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 38.7591 -10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7591 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4736 -8.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1881 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9025 -8.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6170 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3315 -8.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0460 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7604 -8.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1855 -14.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8999 -14.5401 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 30.1855 -15.7776 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 1 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 30 32 1 0 0 0 0 10 33 1 1 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 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 2 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 51 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 > M2MDB004018 > M2MDB > CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COP([O-])(=O)OCC(N)C([O-])=O > InChI=1S/C43H82NO10P/c1-4-5-6-7-8-9-10-11-12-15-19-22-25-28-31-34-42(46)54-39(36-52-55(49,50)53-37-40(44)43(47)48)35-51-41(45)33-30-27-24-21-18-16-13-14-17-20-23-26-29-32-38(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 > VKZSRAUQABMPLV-AWQHUTMPSA-L > C43H80NO10P > 802.0698 > 801.551984297 > 7 > 95.64331810958596 > 0 > 1 > -2 > 0 > 2-amino-3-{[(2R)-3-[(17-methyloctadecanoyl)oxy]-2-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}propanoate > 8.13 > 11.196878865232605 > -7.19 > 0 > 0 > -1 > 2.17839601565545 > 1.4680339991787514 > 9.376604467850063 > 177.34 > 230.61840000000004 > 43 > 0 > 5.46e-05 g/l > 2-amino-3-{[(2R)-3-[(17-methyloctadecanoyl)oxy]-2-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}propanoate > 0 > ECMDB23628 > PS(19:iso/18:1(9Z)) $$$$