Mrv0541 09161411042D 43 43 0 0 0 0 999 V2000 2.6782 -11.2189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6787 -10.3941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9643 -9.9811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2497 -10.3931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2492 -11.2182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9636 -11.6312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3926 -11.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -12.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5345 -11.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -9.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 -9.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5353 -9.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -10.3941 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.8223 -9.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5368 -10.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -11.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -9.5691 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2512 -9.9819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9658 -10.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2512 -9.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9657 -8.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9657 -7.9193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6801 -9.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3946 -8.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1091 -9.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8236 -8.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -9.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2525 -8.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9670 -9.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6803 -9.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3948 -10.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3948 -11.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1092 -9.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8237 -10.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5382 -9.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2526 -10.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9671 -9.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6816 -10.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3961 -9.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -10.3927 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8936 -9.9802 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1792 -11.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -9.5677 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 1 7 1 6 0 0 0 6 8 1 1 0 0 0 5 9 1 6 0 0 0 3 10 1 1 0 0 0 2 11 1 1 0 0 0 4 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 30 1 0 0 0 0 18 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 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 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 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 12 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 M CHG 3 17 -1 41 -1 43 -1 M END > CHEBI:78934 > 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-) > A 1-phosphatidyl-1D-myo-inositol 3-phosphate(3−) arising from deprotonation of all three free phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate); major species at pH 7.3. > 3 > PIP[3'](8:0/8:0)(3-); phosphatidylinositol 3-phosphate diC8(3-); 1,2-dioctanoyl-sn-glycero-3-phospho-(1-D-myo-inositol-3-phosphate) > (2R)-2,3-bis(octanoyloxy)propyl (1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate > C25H45O16P2 > 663.56440 > 663.21993 > -3 > CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC > InChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)21(29)24(23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/p-3/t17-,20+,21+,22-,23-,24-,25+/m1/s1 > LKXJHTKDXMQMDM-UCGOVMIJSA-K > 12878591 $$$$