Mrv0541 10241215402D 51 50 0 0 1 0 999 V2000 30.5171 9.3690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.5171 8.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8026 8.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0881 8.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0881 9.3690 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.2631 9.3690 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 29.9131 9.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0881 10.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8026 10.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8026 11.4315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.0881 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3737 11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6592 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6592 12.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9447 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2302 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5158 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8013 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0868 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3724 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6579 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9434 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2289 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5145 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0855 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3711 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5171 11.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 10.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9460 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6605 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3749 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5184 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2328 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9473 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6618 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3762 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0907 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8052 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5197 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2341 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9486 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6631 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3775 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6631 10.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 8.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 7.3065 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 31.9460 8.5440 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 10 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 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 46 48 1 0 0 0 0 2 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 M CHG 2 6 -1 50 -1 M END > M2MDB003978 > M2MDB > CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(N)C([O-])=O)OC(=O)CCCCCCCCCCCCCCCC(C)C > InChI=1S/C39H76NO10P/c1-4-5-6-7-8-9-13-17-20-23-26-29-37(41)47-31-35(32-48-51(45,46)49-33-36(40)39(43)44)50-38(42)30-27-24-21-18-15-12-10-11-14-16-19-22-25-28-34(2)3/h34-36H,4-33,40H2,1-3H3,(H,43,44)(H,45,46)/p-2/t35-,36?/m1/s1 > DCXMOQORQSFHLZ-RERZGLEZSA-L > C39H74NO10P > 747.9793 > 747.505034105 > 7 > 88.52609085978182 > 0 > 1 > -2 > 0 > 2-amino-3-{[(2R)-2-[(17-methyloctadecanoyl)oxy]-3-(tetradecanoyloxy)propyl phosphonato]oxy}propanoate > 7.55 > 9.780525861899273 > -6.89 > 0 > 0 > -1 > 2.17839601565545 > 1.4680339991787514 > 9.376604467850063 > 177.34 > 211.09780000000003 > 40 > 0 > 1.02e-04 g/l > 2-amino-3-{[(2R)-2-[(17-methyloctadecanoyl)oxy]-3-(tetradecanoyloxy)propyl phosphonato]oxy}propanoate > 0 > ECMDB23588 > PS(14:0/19:iso) $$$$