Mrv0541 02071413412D 69 69 0 0 0 0 999 V2000 6.1815 -8.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -10.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2118 -11.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4974 -11.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4974 -12.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -12.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2118 -13.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9263 -14.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6408 -13.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3553 -14.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0698 -13.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0697 -12.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7842 -12.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7842 -11.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0697 -11.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0697 -10.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9263 -9.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9263 -10.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6069 -8.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4636 -7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -8.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3214 -7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 -8.0905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8925 -7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4636 -6.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 -8.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 -7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 -8.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 -7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 -8.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1769 -7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -8.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 -8.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 -8.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2519 -9.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -8.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1769 -9.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 -8.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 -9.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3204 -8.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 -9.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8940 -8.0906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1797 -7.6780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1797 -6.8530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8940 -6.4405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6085 -6.8530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6085 -7.6780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8940 -8.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4649 -6.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4649 -8.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8940 -5.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7505 -7.6781 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -8.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7506 -6.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7505 -8.5031 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.0380 -5.2035 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.3234 -5.6156 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3229 -6.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6090 -5.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0377 -6.0284 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7842 -10.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4986 -10.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2131 -10.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7519 -8.0908 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.0375 -7.6782 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3229 -8.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0375 -6.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0375 -8.5032 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 2 1 0 0 0 0 17 19 1 0 0 0 0 23 19 1 6 0 0 0 25 20 2 0 0 0 0 20 21 1 0 0 0 0 54 22 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 21 24 1 0 0 0 0 20 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 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 35 34 1 0 0 0 0 43 44 1 0 0 0 0 43 48 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 43 49 1 1 0 0 0 48 67 1 6 0 0 0 47 59 1 1 0 0 0 45 50 1 6 0 0 0 44 51 1 6 0 0 0 46 52 1 6 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 53 56 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 58 61 1 0 0 0 0 16 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 2 0 0 0 0 66 69 1 0 0 0 0 M CHG 5 56 -1 57 -1 61 -1 65 -1 69 -1 M END > CHEBI:77137 > 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate(5-) > A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5−) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-bisphosphate; major species at pH 7.3. > 3 > 18:0/20:4(omega-6) PtdIns 4,5-P2(5-); 1-stearoyl-2-arachidonoyl-sn-phosphatidylinositol 4,5-biphosphate(5-); 1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-icosatetraenoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate(5-); 1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-bisphosphate > (2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(stearoyloxy)propyl (1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonatooxy)cyclohexyl phosphate > C47H80O19P3 > 1042.05070 > 1041.45341 > -5 > CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/p-5/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44+,45-,46-,47-/m1/s1 > CNWINRVXAYPOMW-FCNJXWMTSA-I $$$$