Marvin 10011212002D 80 82 0 0 1 0 999 V2000 11.8649 -19.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8649 -21.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8649 -20.4515 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.1505 -20.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1505 -21.6890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4358 -22.1015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4358 -22.9266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7214 -23.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8649 -22.9266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5792 -23.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8649 -22.1015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1505 -23.3391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1505 -24.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5795 -20.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2939 -20.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2939 -19.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0083 -19.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0081 -18.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -17.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4371 -18.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7225 -17.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7214 -20.8640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0070 -20.4515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4361 -20.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0070 -19.6263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4361 -19.6265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7217 -19.2140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7214 -21.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2926 -20.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2926 -19.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7217 -18.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1505 -19.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1507 -18.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2939 -22.1015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0083 -21.6890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2939 -22.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7228 -22.1015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0083 -23.3390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7228 -22.9265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5795 -21.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0083 -20.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4374 -21.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4374 -23.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0083 -24.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1516 -17.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8660 -18.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5806 -17.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2950 -18.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0094 -17.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7240 -18.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4384 -17.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4384 -17.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7240 -16.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0094 -17.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2950 -16.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5806 -17.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8660 -16.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1516 -17.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5792 -19.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5792 -18.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8649 -17.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2937 -17.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8647 -17.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 -16.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 -15.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4355 -15.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4354 -14.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7209 -14.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7209 -13.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7228 -24.5766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0063 -12.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0065 -13.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 -13.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7208 -11.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4353 -12.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4353 -13.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1498 -13.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1499 -14.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8644 -14.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8644 -15.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 1 0 0 0 7 12 1 0 0 0 0 7 8 1 1 0 0 0 12 9 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 1 0 0 0 12 13 1 6 0 0 0 11 40 1 6 0 0 0 3 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 59 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 19 21 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 27 1 0 0 0 0 22 28 1 6 0 0 0 23 29 1 1 0 0 0 25 30 1 1 0 0 0 27 31 1 6 0 0 0 26 32 1 1 0 0 0 33 32 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 39 1 0 0 0 0 34 40 1 6 0 0 0 35 41 1 1 0 0 0 37 42 1 1 0 0 0 39 43 1 6 0 0 0 38 44 1 1 0 0 0 70 44 1 0 0 0 0 20 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 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 72 69 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 71 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 M END > CHEBI:68562 > PIM2 > A phosphatidylinositol dimannoside having the phosphatidyl moiety (with acyl groups palmitoyl and tuberculostearoyl at the 1- and 2-positions respectively) at the 1-position, and with two single mannosyl residues at the 2- and 6-positions of the inositol ring. > 3 > 1-O-(1-O-palmitoyl-2-O-tuberculostearoylglycero-3-phosphono)-2,5-di-O-D-mannopyranosyl-1-alpha-D-myo-inositol > 1-[(hydroxy{[(2R,3R,5S,6R)-3,4,5-trihydroxy-2,6-bis(alpha-D-mannopyranosyloxy)cyclohexyl]oxy}phosphoryl)oxy]-3-(palmitoyloxy)propan-2-yl 10-methyloctadecanoate > C56H105O23P > 1177.39290 > 1176.67843 > 0 > CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCC(C)CCCCCCCC > InChI=1S/C56H105O23P/c1-4-6-8-10-12-13-14-15-16-17-18-23-27-31-41(59)72-35-38(74-42(60)32-28-24-20-19-22-26-30-37(3)29-25-21-11-9-7-5-2)36-73-80(70,71)79-54-52(77-55-50(68)45(63)43(61)39(33-57)75-55)48(66)47(65)49(67)53(54)78-56-51(69)46(64)44(62)40(34-58)76-56/h37-40,43-58,61-69H,4-36H2,1-3H3,(H,70,71)/t37?,38?,39-,40-,43-,44-,45+,46+,47-,48-,49+,50+,51+,52-,53-,54-,55-,56-/m1/s1 > WQFXOEJTASQGNX-XAXPYQTGSA-N > 1702433 $$$$