CDK 2/12/10,15:28 91 92 0 0 0 0 0 0 0 0999 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8611 -0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8678 -1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5856 -2.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2967 -1.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 -0.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1568 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 1.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2766 0.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9945 0.4356 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 0.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0146 -2.0393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 -0.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4434 -2.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 -1.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3012 -2.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7300 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 -1.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8700 -1.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1589 -1.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4411 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5878 -1.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2989 -1.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0166 -1.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1545 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1478 -0.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 -4.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 -2.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0213 -2.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 -3.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8789 -2.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1679 -3.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3079 -2.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5967 -3.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4545 -3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7367 -2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0256 -3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1656 -2.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8834 -3.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5945 -2.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7390 -3.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7457 -4.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5923 -2.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -2.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -1.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4303 -2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5736 -1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2882 -2.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0025 -1.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1436 -2.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2880 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5736 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8591 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0025 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7170 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4314 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 6 0 0 0 2 1 1 0 0 0 0 2 75 1 1 0 0 0 3 2 1 0 0 0 0 3 58 1 6 0 0 0 1 4 1 0 0 0 0 4 17 1 1 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 3 6 1 0 0 0 0 6 15 1 1 0 0 0 7 14 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 6 0 0 0 9 10 1 0 0 0 0 9 57 1 1 0 0 0 11 10 1 0 0 0 0 10 24 1 6 0 0 0 12 11 1 0 0 0 0 11 19 1 6 0 0 0 14 15 1 0 0 0 0 17 18 1 0 0 0 0 19 22 1 0 0 0 0 22 20 2 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 24 28 1 0 0 0 0 28 25 2 0 0 0 0 30 26 1 0 0 0 0 26 39 1 0 0 0 0 39 27 1 0 0 0 0 27 28 1 0 0 0 0 32 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 35 31 1 0 0 0 0 36 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 37 36 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 6 0 0 0 44 41 2 0 0 0 0 46 42 1 0 0 0 0 42 55 1 0 0 0 0 55 43 1 0 0 0 0 43 44 1 0 0 0 0 57 44 1 0 0 0 0 48 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 51 47 1 0 0 0 0 52 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 53 52 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 1 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 61 59 1 0 0 0 0 73 61 1 0 0 0 0 64 62 1 0 0 0 0 62 73 1 0 0 0 0 66 63 1 0 0 0 0 63 64 1 0 0 0 0 65 66 1 0 0 0 0 69 65 1 0 0 0 0 70 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 71 70 1 0 0 0 0 71 72 1 0 0 0 0 73 74 1 6 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 78 76 1 0 0 0 0 90 78 1 0 0 0 0 81 79 1 0 0 0 0 79 90 1 0 0 0 0 83 80 1 0 0 0 0 80 81 1 0 0 0 0 82 83 1 0 0 0 0 86 82 1 0 0 0 0 87 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 88 87 1 0 0 0 0 88 89 1 0 0 0 0 90 91 1 1 0 0 0 M CHG 1 21 -1 M CHG 1 23 -1 M END > CHEBI:58466 > 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate(2-) > Dianion of 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-α-D-glucosaminyl-1,6-β-D-glucosamine 1-phosphate. > 3 > lipid A disaccharide (E. coli); 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate dianion > 2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphonato-alpha-D-glucopyranose > C68H127N2O20P > 1323.71110 > 1322.87308 > -2 > CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC > InChI=1S/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/p-2/t51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1 > HLDJGHAAKRKPAV-QDORLFPLSA-L $$$$