Mrv0541 10241215422D 52 52 0 0 1 0 999 V2000 31.7249 -4.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.0105 -5.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0105 -5.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7249 -6.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7249 -7.1151 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 32.5499 -7.1151 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 30.8999 -7.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7249 -7.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4394 -8.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4394 -9.1776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.7249 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0105 -9.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2960 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2960 -10.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5815 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8671 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1526 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4381 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7237 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0092 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2947 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5802 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8658 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1513 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4368 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7224 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0079 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2934 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5789 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8645 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1500 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8645 -10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1539 -9.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8684 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8684 -8.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5828 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2973 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0118 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7262 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4407 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1552 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8697 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5841 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9966 -8.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4091 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1236 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8381 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5525 -9.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2670 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2960 -4.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5815 -5.0526 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 30.2960 -3.8151 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 6 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 1 0 0 0 0 44 45 1 0 0 0 0 43 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 2 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 M CHG 2 6 -1 51 -1 M END > M2MDB004014 > M2MDB > CCCCC1CC1CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COP([O-])(=O)OCC(N)C([O-])=O > InChI=1S/C40H76NO10P/c1-4-5-25-34-29-35(34)26-21-17-15-19-23-28-39(43)51-36(31-49-52(46,47)50-32-37(41)40(44)45)30-48-38(42)27-22-18-14-12-10-8-6-7-9-11-13-16-20-24-33(2)3/h33-37H,4-32,41H2,1-3H3,(H,44,45)(H,46,47)/p-2/t34?,35?,36-,37?/m1/s1 > JFSIUCADCRBONT-BPOCUFQESA-L > C40H74NO10P > 759.99 > 759.505034105 > 7 > 89.27685674971066 > 0 > 1 > -2 > 0 > 2-amino-3-{[(2R)-2-{[8-(2-butylcyclopropyl)octanoyl]oxy}-3-[(17-methyloctadecanoyl)oxy]propyl phosphonato]oxy}propanoate > 7.50 > 9.446269486899272 > -7.08 > 0 > 1 > -1 > 2.17839601565545 > 1.4680339991787514 > 9.376604467850063 > 177.34 > 213.79180000000005 > 39 > 0 > 6.65e-05 g/l > 2-amino-3-{[(2R)-2-{[8-(2-butylcyclopropyl)octanoyl]oxy}-3-[(17-methyloctadecanoyl)oxy]propyl phosphonato]oxy}propanoate > 0 > ECMDB23624 > PS(19:iso/15:0cyclo) $$$$