Mrv0541 02241222432D 137138 0 0 0 0 999 V2000 30.9349 -18.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7915 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0771 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5060 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3626 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7915 -17.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2204 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6481 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9336 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2192 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5047 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9336 -17.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7902 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0757 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3612 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6468 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0757 -17.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9323 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2179 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5034 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7889 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6455 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2179 -17.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0745 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3600 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9310 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5021 -17.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5021 -17.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7876 -16.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0731 -14.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6442 -12.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 -9.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7863 -7.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3574 -4.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9284 -2.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2166 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3587 -14.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9298 -11.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5008 -9.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -6.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 -4.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 -1.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 0.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0731 -15.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9272 3.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 3.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6442 -12.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 -10.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7863 -8.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2127 4.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3574 -5.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9284 -3.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6416 4.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7876 -15.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3600 -17.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 3.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3587 -13.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9298 -10.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5008 -8.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -5.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 -3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 -1.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 3.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6452 0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 3.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 0.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6452 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7876 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 -2.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3587 -15.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 -1.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9298 -13.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5008 -10.9056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 -1.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -8.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 -5.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 -3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -1.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3561 1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6416 5.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 -3.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2127 2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2163 0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7886 -3.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7886 -4.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6452 -2.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5031 -4.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5031 -5.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0742 -4.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2176 -5.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -5.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -4.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6465 -5.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6494 -17.9181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 32.3638 -17.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2369 -17.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0619 -18.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0783 -17.9181 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 33.7928 -18.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4908 -17.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6658 -18.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5073 -17.9181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 35.2218 -18.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9362 -17.9181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 35.9362 -17.0931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 35.2218 -16.6806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.5073 -17.0931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 36.6507 -18.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6507 -16.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2218 -15.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7928 -16.6806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.6507 -19.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6507 -15.8556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 35.9362 -15.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9362 -14.6181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 36.6507 -14.2056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 37.3652 -14.6181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 37.3652 -15.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 35.2218 -14.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0796 -14.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6507 -13.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.0796 -15.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.7928 -15.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5073 -15.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0783 -15.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7941 -15.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7941 -14.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5086 -15.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2218 -13.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 24 25 2 0 0 0 0 25 61 1 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 36 2 0 0 0 0 28 76 1 0 0 0 0 29 59 1 0 0 0 0 30 38 1 0 0 0 0 30 46 1 0 0 0 0 31 40 1 0 0 0 0 31 49 1 0 0 0 0 32 41 1 0 0 0 0 32 50 1 0 0 0 0 33 42 1 0 0 0 0 33 51 1 0 0 0 0 34 43 1 0 0 0 0 34 53 1 0 0 0 0 35 44 1 0 0 0 0 35 54 1 0 0 0 0 37 45 1 0 0 0 0 37 55 1 0 0 0 0 38 63 1 0 0 0 0 39 48 1 0 0 0 0 39 56 1 0 0 0 0 40 64 1 0 0 0 0 41 65 1 0 0 0 0 42 66 1 0 0 0 0 43 67 1 0 0 0 0 44 68 1 0 0 0 0 45 69 1 0 0 0 0 46 59 2 0 0 0 0 46 78 1 0 0 0 0 47 52 1 0 0 0 0 47 58 1 0 0 0 0 48 70 1 0 0 0 0 49 63 2 0 0 0 0 49 80 1 0 0 0 0 50 64 2 0 0 0 0 50 81 1 0 0 0 0 51 65 2 0 0 0 0 51 83 1 0 0 0 0 52 72 1 0 0 0 0 53 66 2 0 0 0 0 53 84 1 0 0 0 0 54 67 2 0 0 0 0 54 85 1 0 0 0 0 55 68 2 0 0 0 0 55 86 1 0 0 0 0 56 69 2 0 0 0 0 56 87 1 0 0 0 0 57 60 1 0 0 0 0 57 62 1 0 0 0 0 58 70 2 0 0 0 0 58 88 1 0 0 0 0 60 75 1 0 0 0 0 62 72 2 0 0 0 0 62 90 1 0 0 0 0 71 73 1 0 0 0 0 71 74 1 0 0 0 0 73 75 2 0 0 0 0 73 91 1 0 0 0 0 74 82 1 0 0 0 0 77 79 1 0 0 0 0 77 89 1 0 0 0 0 79 82 2 0 0 0 0 79 94 1 0 0 0 0 89 92 1 0 0 0 0 92 93 2 0 0 0 0 93 95 1 0 0 0 0 93 97 1 0 0 0 0 95 96 1 0 0 0 0 96 98 1 0 0 0 0 98 99 2 0 0 0 0 99100 1 0 0 0 0 99101 1 0 0 0 0 102103 1 0 0 0 0 102104 1 0 0 0 0 102105 2 0 0 0 0 103106 1 0 0 0 0 106107 1 0 0 0 0 106108 1 0 0 0 0 106109 2 0 0 0 0 110107 1 6 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 110115 1 0 0 0 0 112116 1 1 0 0 0 113117 1 6 0 0 0 114118 1 1 0 0 0 115119 1 6 0 0 0 116120 1 0 0 0 0 121117 1 6 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 121126 1 0 0 0 0 123127 1 6 0 0 0 125128 1 6 0 0 0 124129 1 1 0 0 0 126130 1 1 0 0 0 119131 1 0 0 0 0 131132 2 0 0 0 0 131133 1 0 0 0 0 130134 1 0 0 0 0 134135 2 0 0 0 0 134136 1 0 0 0 0 127137 1 0 0 0 0 102 1 1 0 0 0 0 M END > YMDB00940 > YMDB > OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)OP(O)(=O)OP(O)(=O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O > InChI=1S/C116H192N2O17P2/c1-85(2)43-24-44-86(3)45-25-46-87(4)47-26-48-88(5)49-27-50-89(6)51-28-52-90(7)53-29-54-91(8)55-30-56-92(9)57-31-58-93(10)59-32-60-94(11)61-33-62-95(12)63-34-64-96(13)65-35-66-97(14)67-36-68-98(15)69-37-70-99(16)71-38-72-100(17)73-39-74-101(18)75-40-76-102(19)77-41-78-103(20)79-42-80-104(21)81-82-130-136(126,127)135-137(128,129)134-116-110(118-106(23)122)113(125)114(108(84-120)132-116)133-115-109(117-105(22)121)112(124)111(123)107(83-119)131-115/h43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,104,107-116,119-120,123-125H,24-42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80-84H2,1-23H3,(H,117,121)(H,118,122)(H,126,127)(H,128,129)/b86-45+,87-47+,88-49+,89-51+,90-53-,91-55+,92-57+,93-59+,94-61+,95-63+,96-65+,97-67+,98-69+,99-71-,100-73+,101-75+,102-77+,103-79+/t104?,107-,108-,109-,110-,111-,112-,113-,114-,115+,116-/m1/s1 > PRYYLPDTMLHFQH-RJSWRCNLSA-N > C116H192N2O17P2 > 1948.7164 > 1947.369625752 > 14 > 236.0239277262639 > 0 > 9 > 0 > 0 > {[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}({[hydroxy({[(6E,10E,14E,18E,22Z,26E,30E,34E,38E,42E,46E,50E,54E,58Z,62E,66E,70E,74E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-yl]oxy})phosphoryl]oxy})phosphinic acid > 8.50 > 27.698640297333338 > -6.38 > 0 > 2 > -2 > 3.1717817375107944 > 1.7444953208041847 > -2.9813431279973566 > 289.33 > 587.439 > 71 > 0 > 8.11e-04 g/l > [(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({hydroxy[(6E,10E,14E,18E,22Z,26E,30E,34E,38E,42E,46E,50E,54E,58Z,62E,66E,70E,74E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-yl]oxyphosphoryl}oxy)phosphinic acid > 0 > YMDB00940 > N,N'-diacetylchitobiosyldiphosphodolichol > Chitobiosyldiphosphodolichol; N,N'-Diacetylchitobiosyldiphosphodolichol $$$$