Mrv1652303032020332D 68 70 0 0 0 0 999 V2000 9999.4123 9998.7887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10000.1261 9998.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.8419 9998.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.5558 9998.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10002.2716 9998.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.9854 9998.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.6993 9998.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.4151 9998.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.1289 9998.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.8448 9998.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.5586 9998.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.2724 9998.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.9883 9998.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.7042 9998.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10009.4201 9998.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.5558 9997.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10000.1261 9997.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9997.9830 9999.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9997.268310000.0234 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9996.3573 9999.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9995.441910000.0213 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9994.7273 9999.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9994.012710000.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.5047 9998.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9991.7151 9998.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9990.5336 9998.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9989.102210001.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9995.030410000.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9995.855610000.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9996.856810000.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9997.682010000.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10000.8419 9999.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10001.557810000.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.2737 9999.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.987510000.0234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10003.7013 9999.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.417210000.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.1310 9999.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.846910000.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.5607 9999.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.274510000.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.9904 9999.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.704210000.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10009.4201 9999.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10010.133910000.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10010.8477 9999.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.987510000.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10001.557810000.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10000.841910001.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9999.412310002.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.126110002.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9999.412010001.2617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9998.697510000.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9998.697510000.0241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9999.4120 9999.6117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10000.126510000.0241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10000.126510000.8492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9990.532210001.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9989.817710000.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9989.817710000.0221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9990.5322 9999.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9991.246710000.0221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9991.246710000.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9992.627210000.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9991.9598 9999.6185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9992.2147 9998.8339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9993.0397 9998.8339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9993.2946 9999.6185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 30 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 48 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 47 1 6 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 50 51 1 0 0 0 0 52 57 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 55 1 1 1 0 0 0 54 18 1 1 0 0 0 52 50 1 6 0 0 0 57 49 1 1 0 0 0 56 32 1 6 0 0 0 58 59 1 0 0 0 0 58 63 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 61 26 2 0 0 0 0 59 27 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 64 65 1 0 0 0 0 64 68 1 0 0 0 0 68 23 1 6 0 0 0 65 62 1 6 0 0 0 66 25 1 1 0 0 0 67 24 1 1 0 0 0 M END > M2MDB001047 > M2MDB > CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC > InChI=1S/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(55)41(62-32)46-24-23-33(50)45-43(46)56/h23-24,29-32,36-42,47-49,53-55H,3-22,25-28H2,1-2H3,(H,44,51)(H,57,58)(H,59,60)(H,45,50,56)/t29-,30-,31-,32-,36-,37-,38-,39-,40-,41-,42-/m1/s1 > KOJCFMYSTWNMQW-RUAJDYCTSA-N > C43H77N3O20P2 > 1018.0271 > 1017.457564943 > 18 > 145 > 105.53568070004015 > 0 > 10 > 0 > 0 > (3R)-N-[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]-3-hydroxytetradecanimidic acid > 2.66 > 5.063547259333331 > -3.37 > 1 > 3 > -2 > 3.1725005489435945 > 1.7344326381690132 > -3.6573576101780363 > 353.9200000000001 > 241.0588000000001 > 36 > 0 > 4.33e-01 g/l > (3R)-N-[(2R,3R,4R,5S,6R)-2-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]-3-hydroxytetradecanimidic acid > 0 > ECMDB20201 > UDP-2,3-Bis(3-hydroxytetradecanoyl)glucosamine $$$$