Mrv1652304202021232D 103103 0 0 1 0 999 V2000 10.4726 -5.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1827 -4.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1739 -3.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 -9.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4699 -9.2794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0905 -10.0120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0251 -8.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 -10.0497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2010 -8.6223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8216 -9.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8870 -10.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -10.7068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2452 -9.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 -7.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -7.1949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1560 -11.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6007 -12.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 -11.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -8.5523 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.3689 -8.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0549 -7.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9312 -8.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9224 -7.3225 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0975 -7.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 -7.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9137 -6.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6237 -6.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6149 -5.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3249 -4.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 -4.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0438 -5.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7538 -4.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.2949 -3.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6004 -3.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8676 -3.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1730 -3.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.2567 -2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4402 -3.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.1497 -2.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4552 -3.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7224 -3.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0278 -3.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.1114 -2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8826 -3.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7456 -3.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0128 -3.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3182 -3.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4019 -2.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5854 -3.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0210 -3.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3265 -4.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5936 -3.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8990 -4.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9827 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1662 -3.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8758 -3.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1812 -4.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4484 -3.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7539 -4.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8375 -2.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7306 -3.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0360 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3032 -3.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6087 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6922 -2.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8908 -3.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1580 -3.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4634 -3.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5471 -2.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4717 -4.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7389 -3.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0443 -4.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1280 -3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3114 -4.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6169 -4.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8840 -4.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1895 -4.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2731 -3.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4567 -4.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8923 -4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1977 -4.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4648 -4.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7703 -5.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8539 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0374 -4.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7470 -4.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0524 -4.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3196 -4.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6251 -4.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7087 -3.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6019 -4.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9073 -4.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1744 -4.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4799 -4.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5636 -3.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7621 -4.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0292 -4.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3347 -4.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4183 -3.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3429 -5.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6101 -4.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9155 -5.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9992 -3.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 10 9 1 0 0 0 0 10 4 1 6 0 0 0 8 11 1 1 0 0 0 6 12 1 6 0 0 0 5 13 1 1 0 0 0 9 14 1 1 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 18 16 2 0 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 13 19 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 26 23 1 0 0 0 0 22 23 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 29 1 0 0 0 0 32 31 1 0 0 0 0 1 32 1 0 0 0 0 34 33 2 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 33 1 0 0 0 0 38 36 1 0 0 0 0 40 39 2 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 39 1 0 0 0 0 33 42 1 0 0 0 0 39 44 1 0 0 0 0 45 38 2 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 38 1 0 0 0 0 49 47 1 0 0 0 0 51 50 2 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 50 1 0 0 0 0 55 53 1 0 0 0 0 57 56 2 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 56 1 0 0 0 0 50 59 1 0 0 0 0 62 61 2 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 61 1 0 0 0 0 56 64 1 0 0 0 0 66 49 2 0 0 0 0 67 66 1 0 0 0 0 68 67 1 0 0 0 0 69 49 1 0 0 0 0 61 68 1 0 0 0 0 70 55 2 0 0 0 0 71 70 1 0 0 0 0 72 71 1 0 0 0 0 73 55 1 0 0 0 0 74 72 1 0 0 0 0 75 74 2 0 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 74 1 0 0 0 0 79 77 1 0 0 0 0 81 80 2 0 0 0 0 82 81 1 0 0 0 0 83 82 1 0 0 0 0 84 80 1 0 0 0 0 85 83 1 0 0 0 0 87 86 2 0 0 0 0 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 86 1 0 0 0 0 80 89 1 0 0 0 0 92 91 2 0 0 0 0 93 92 1 0 0 0 0 94 93 1 0 0 0 0 95 91 1 0 0 0 0 86 94 1 0 0 0 0 96 79 2 0 0 0 0 97 96 1 0 0 0 0 98 97 1 0 0 0 0 99 79 1 0 0 0 0 91 98 1 0 0 0 0 100 85 2 0 0 0 0 101100 1 0 0 0 0 102101 1 0 0 0 0 103 85 1 0 0 0 0 2102 1 0 0 0 0 M END > BMDB0012264 > bmdb > CC(CCOP(O)(=O)OP(O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)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 > InChI=1S/C88H147NO12P2/c1-67(2)34-19-35-68(3)36-20-37-69(4)38-21-39-70(5)40-22-41-71(6)42-23-43-72(7)44-24-45-73(8)46-25-47-74(9)48-26-49-75(10)50-27-51-76(11)52-28-53-77(12)54-29-55-78(13)56-30-57-79(14)58-31-59-80(15)60-32-61-81(16)62-33-63-82(17)64-65-98-102(94,95)101-103(96,97)100-88-85(89-83(18)91)87(93)86(92)84(66-90)99-88/h34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,82,84-88,90,92-93H,19-33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-66H2,1-18H3,(H,89,91)(H,94,95)(H,96,97)/b68-36+,69-38+,70-40+,71-42+,72-44+,73-46+,74-48+,75-50+,76-52+,77-54+,78-56+,79-58+,80-60+,81-62+/t82?,84-,85-,86-,87-,88+/m1/s1 > PJOHRMFBCONSHW-HWUFQLITSA-N > C88H147NO12P2 > 1473.0558 > 1472.039852197 > 9 > 250 > 183.42134995513243 > 0 > 6 > 0 > 0 > {[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[({[(6E,10E,14E,18E,22E,26E,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]phosphinic acid > 9.11 > 23.11865403666667 > -6.40 > 0 > 1 > -2 > 3.1917893778247293 > 1.74469965397006 > -1.5732098341452576 > 201.30999999999995 > 448.7139999999998 > 55 > 0 > 5.83e-04 g/l > [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({[(6E,10E,14E,18E,22E,26E,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)phosphinic acid > 0 > BMDB0012264 > N-Acetylglucosaminyl-diphosphodolichol $$$$