Ketcher 11251910442D 1 1.00000 0.00000 0 65 65 0 0 0 999 V2000 2.4160 -0.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 -2.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4528 -3.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 -4.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 -5.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4531 -5.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4528 -6.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -7.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1903 -6.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0591 -7.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 -6.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -5.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7965 -5.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7965 -4.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -3.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -2.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -2.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1491 -0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5431 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 -0.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1492 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2805 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5431 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1942 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6691 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4065 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2751 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2751 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4063 -1.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6691 -1.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 -1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 -1.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1942 -1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3618 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4932 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4932 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3618 1.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2305 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2305 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3618 -1.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 -0.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6241 1.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6241 -0.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3618 2.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 0.4258 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8867 -0.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7556 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 -0.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8367 1.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9680 1.4289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 1.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9680 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9680 2.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7965 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 -2.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5339 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17 1 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 17 18 1 0 0 0 18 2 1 0 0 0 17 19 1 0 0 0 23 19 1 6 0 0 25 20 2 0 0 0 20 21 1 0 0 0 55 22 1 0 0 0 23 22 1 0 0 0 23 24 1 0 0 0 21 24 1 0 0 0 20 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 35 34 1 0 0 0 43 44 1 0 0 0 43 48 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 43 49 1 1 0 0 48 50 1 6 0 0 47 60 1 1 0 0 45 51 1 6 0 0 44 52 1 6 0 0 46 53 1 6 0 0 52 54 1 0 0 0 54 55 1 0 0 0 54 56 2 0 0 0 54 57 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 59 61 2 0 0 0 59 62 1 0 0 0 16 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 M END > CHEBI:77271 > 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate > A 1-phosphatidyl-1D-myo-inositol 4-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively. > 3 > 1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-icosatetraenoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate; 1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate > (2R)-1-[(hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate > C47H84O16P2 > 967.121 > 966.52346 > 0 > O=C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)OP(O)(=O)O)O)O)(=O)O)COC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C47H84O16P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)61-39(37-59-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-60-65(57,58)63-47-44(52)42(50)46(43(51)45(47)53)62-64(54,55)56/h11,13,17,19,22,24,28,30,39,42-47,50-53H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42-,43+,44-,45-,46+,47+/m1/s1 > ROKMWIUSHIHOGI-BWTMTLBLSA-N > 2Y5 > 26206936; 31243363 $$$$