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0 -2.1434 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 4.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 3.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 7.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 4.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 7.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35 20 1 0 0 0 0 36 20 1 0 0 0 0 37 21 1 0 0 0 0 38 21 1 0 0 0 0 39 22 1 0 0 0 0 40 22 1 0 0 0 0 41 23 1 0 0 0 0 42 23 1 0 0 0 0 43 24 1 0 0 0 0 44 24 1 0 0 0 0 45 25 1 0 0 0 0 46 25 1 0 0 0 0 47 26 1 0 0 0 0 48 26 1 0 0 0 0 49 27 1 0 0 0 0 50 27 1 0 0 0 0 51 28 1 0 0 0 0 52 28 1 0 0 0 0 53 29 1 0 0 0 0 54 29 1 0 0 0 0 55 30 1 0 0 0 0 56 30 1 0 0 0 0 57 31 1 0 0 0 0 58 31 1 0 0 0 0 59 32 1 0 0 0 0 60 32 1 0 0 0 0 61 33 1 0 0 0 0 62 33 1 0 0 0 0 63 34 1 0 0 0 0 64 34 1 0 0 0 0 66 65 1 0 0 0 0 70 1 1 0 0 0 0 70 2 1 0 0 0 0 70 35 2 0 0 0 0 71 3 1 0 0 0 0 71 36 1 0 0 0 0 71 37 2 0 0 0 0 72 4 1 0 0 0 0 72 38 1 0 0 0 0 72 39 2 0 0 0 0 73 5 1 0 0 0 0 73 40 1 0 0 0 0 73 41 2 0 0 0 0 74 6 1 0 0 0 0 74 42 1 0 0 0 0 74 43 2 0 0 0 0 75 7 1 0 0 0 0 75 44 1 0 0 0 0 75 45 2 0 0 0 0 76 8 1 0 0 0 0 76 46 1 0 0 0 0 76 47 2 0 0 0 0 77 9 1 0 0 0 0 77 48 1 0 0 0 0 77 49 2 0 0 0 0 78 10 1 0 0 0 0 78 50 1 0 0 0 0 78 51 2 0 0 0 0 79 11 1 0 0 0 0 79 52 1 0 0 0 0 79 53 2 0 0 0 0 80 12 1 0 0 0 0 80 54 1 0 0 0 0 80 55 2 0 0 0 0 81 13 1 0 0 0 0 81 56 1 0 0 0 0 81 57 2 0 0 0 0 82 14 1 0 0 0 0 82 58 1 0 0 0 0 82 59 2 0 0 0 0 83 15 1 0 0 0 0 83 60 1 0 0 0 0 83 61 2 0 0 0 0 84 16 1 0 0 0 0 84 62 1 0 0 0 0 84 63 2 0 0 0 0 85 17 1 0 0 0 0 85 64 1 0 0 0 0 85 65 1 0 0 0 0 86 18 1 4 0 0 0 87 19 1 4 0 0 0 88 67 1 6 0 0 0 89 68 1 1 0 0 0 90 69 1 1 0 0 0 93 88 1 0 0 0 0 94 91 1 0 0 0 0 95 92 1 0 0 0 0 96 93 1 0 0 0 0 97 96 1 0 0 0 0 98 90 1 0 0 0 0 98 95 1 0 0 0 0 99 89 1 0 0 0 0 99 94 1 0 0 0 0 100 91 1 0 0 0 0 101 92 1 0 0 0 0 102 97 1 0 0 0 0 103 86 2 0 0 0 0 91103 1 6 0 0 0 104 87 2 0 0 0 0 92104 1 6 0 0 0 105 67 1 0 0 0 0 106 68 1 0 0 0 0 107 69 1 0 0 0 0 108 86 1 0 0 0 0 109 87 1 0 0 0 0 93110 1 1 0 0 0 94111 1 1 0 0 0 95112 1 1 0 0 0 96113 1 1 0 0 0 97114 1 6 0 0 0 119 66 1 0 0 0 0 120 88 1 0 0 0 0 120102 1 0 0 0 0 121 89 1 0 0 0 0 121100 1 0 0 0 0 122 90 1 0 0 0 0 122101 1 0 0 0 0 98123 1 1 0 0 0 100123 1 1 0 0 0 99124 1 1 0 0 0 102124 1 6 0 0 0 101125 1 1 0 0 0 127115 1 0 0 0 0 127116 2 0 0 0 0 127119 1 0 0 0 0 127126 1 0 0 0 0 128117 1 0 0 0 0 128118 2 0 0 0 0 128125 1 0 0 0 0 128126 1 0 0 0 0 129 37 1 0 0 0 0 130 39 1 0 0 0 0 131 41 1 0 0 0 0 132 43 1 0 0 0 0 133 45 1 0 0 0 0 134 47 1 0 0 0 0 135 49 1 0 0 0 0 136 51 1 0 0 0 0 137 53 1 0 0 0 0 138 55 1 0 0 0 0 139 57 1 0 0 0 0 140 59 1 0 0 0 0 141 61 1 0 0 0 0 142 63 1 0 0 0 0 143 85 1 0 0 0 0 88144 1 1 0 0 0 89145 1 6 0 0 0 90146 1 6 0 0 0 91147 1 1 0 0 0 92148 1 1 0 0 0 93149 1 6 0 0 0 94150 1 6 0 0 0 95151 1 6 0 0 0 96152 1 1 0 0 0 97153 1 1 0 0 0 98154 1 1 0 0 0 99155 1 1 0 0 0 100156 1 6 0 0 0 101157 1 6 0 0 0 102158 1 1 0 0 0 M END > CHEM040739 > chemdb > [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(\[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CCC([H])(C)CCOP(O)(=O)OP(O)(=O)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C > InChI=1S/C102H170N2O22P2/c1-70(2)35-20-36-71(3)37-21-38-72(4)39-22-40-73(5)41-23-42-74(6)43-24-44-75(7)45-25-46-76(8)47-26-48-77(9)49-27-50-78(10)51-28-52-79(11)53-29-54-80(12)55-30-56-81(13)57-31-58-82(14)59-32-60-83(15)61-33-62-84(16)63-34-64-85(17)65-66-119-127(115,116)126-128(117,118)125-101-92(104-87(19)109)95(112)98(90(69-107)122-101)123-100-91(103-86(18)108)94(111)99(89(68-106)121-100)124-102-97(114)96(113)93(110)88(67-105)120-102/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,85,88-102,105-107,110-114H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-69H2,1-19H3,(H,103,108)(H,104,109)(H,115,116)(H,117,118)/b71-37+,72-39+,73-41+,74-43+,75-45+,76-47+,77-49+,78-51+,79-53-,80-55+,81-57+,82-59+,83-61+,84-63+/t85?,88-,89-,90-,91-,92-,93-,94-,95-,96+,97+,98-,99-,100+,101+,102+/m1/s1 > WFPHPSFEEKVIHM-KEOBZZMXSA-N > C102H170N2O22P2 > 1838.422 > 1837.172049118 > 21 > 298 > 213.67037587686696 > 0 > 12 > 0 > 0 > N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-({[({[(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid > 7.83 > 20.928155805666666 > -6.12 > 1 > 3 > -2 > 3.1859668736668234 > 1.7417196150594236 > -3.6347662072031044 > 375.46000000000015 > 525.6853 > 62 > 0 > 1.38e-03 g/l > N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-[({[(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-4-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid > 0 > Mannosyl-(N-acetylglucosaminyl)2-diphosphodolichol $$$$