Mrv0541 02241222422D 123123 0 0 0 0 999 V2000 30.0207 -13.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8773 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1629 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5918 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4484 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8773 -15.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3062 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7339 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0195 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3050 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5905 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0195 -15.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8760 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1616 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4471 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7326 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1616 -15.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0181 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3037 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5892 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8747 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7313 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3037 -15.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1603 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4458 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0169 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5879 -15.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5879 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8734 -15.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1589 -17.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7300 -20.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 -20.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -17.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -15.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5853 -12.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3024 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1564 -10.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 -18.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7274 -7.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0156 -20.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 -19.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -16.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5853 -11.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1564 -9.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1589 -16.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7274 -5.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7274 -6.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7300 -19.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 -20.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1577 -18.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7274 -4.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7287 -15.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2998 -13.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -10.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 -8.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 -2.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -5.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8734 -16.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 -1.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4458 -15.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -3.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 -18.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3011 -20.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1577 -18.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7287 -16.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2998 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -11.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 -8.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -6.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 -0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -4.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -0.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -1.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8734 -13.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 2.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 -16.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8449 1.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0156 -18.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 -21.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8449 0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8722 -17.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -15.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -12.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5853 -10.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1564 -7.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 -5.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 3.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7274 -2.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 -0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2739 3.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2739 4.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 2.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9884 4.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9884 5.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 4.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7028 5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4173 5.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4173 4.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1317 5.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7352 -14.3226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 31.4497 -14.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3227 -15.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1477 -13.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1642 -14.3226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 32.8786 -13.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5767 -15.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7517 -13.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8786 -13.0851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.1642 -12.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1642 -11.8476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.8786 -11.4351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.5931 -11.8476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 33.5931 -12.6726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.4497 -11.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8786 -10.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3076 -11.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3076 -13.0851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.4497 -10.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0221 -12.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7365 -13.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0221 -11.8476 0.0000 C 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 1 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 6 0 0 0 113117 1 1 0 0 0 114118 1 6 0 0 0 115119 1 1 0 0 0 116120 1 0 0 0 0 119121 1 0 0 0 0 121122 2 0 0 0 0 121123 1 0 0 0 0 102 1 1 0 0 0 0 M END > YMDB00934 > YMDB > OC[C@H]1O[C@H](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/C108H179NO12P2/c1-83(2)42-23-43-84(3)44-24-45-85(4)46-25-47-86(5)48-26-49-87(6)50-27-51-88(7)52-28-53-89(8)54-29-55-90(9)56-30-57-91(10)58-31-59-92(11)60-32-61-93(12)62-33-63-94(13)64-34-65-95(14)66-35-67-96(15)68-36-69-97(16)70-37-71-98(17)72-38-73-99(18)74-39-75-100(19)76-40-77-101(20)78-41-79-102(21)80-81-118-122(114,115)121-123(116,117)120-108-105(109-103(22)111)107(113)106(112)104(82-110)119-108/h42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,102,104-108,110,112-113H,23-41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79-82H2,1-22H3,(H,109,111)(H,114,115)(H,116,117)/b84-44+,85-46+,86-48+,87-50+,88-52-,89-54+,90-56+,91-58+,92-60+,93-62+,94-64+,95-66+,96-68+,97-70-,98-72+,99-74+,100-76+,101-78+/t102?,104-,105-,106-,107-,108-/m1/s1 > NCKLCSDHQCYXQT-NFNHYLGRSA-N > C108H179NO12P2 > 1745.5239 > 1744.290253221 > 9 > 217.68003788177606 > 0 > 6 > 0 > 0 > {[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-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 > 9.00 > 29.757511136666665 > -6.43 > 0 > 1 > -2 > 3.171830961728887 > 1.7457526571666602 > -0.7842632652706848 > 201.30999999999997 > 543.9243999999997 > 67 > 0 > 6.55e-04 g/l > [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-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 > YMDB00934 > N-acetyl-D-glucosaminyldiphosphodolichol > N-Acetyl-D-glucosaminyl-diphosphodolichol $$$$