25202247 Mrv0541 07191210462D 67 69 0 0 1 0 999 V2000 4.2365 1.1446 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -0.0928 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 2.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -2.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 4.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 1.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 2.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1175 -2.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -0.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 0.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 4.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 1.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -4.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3132 -6.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 4.8572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -4.0924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6186 -5.5136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 4.0322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8075 3.6197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2365 3.6197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 2.7947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3329 -2.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 2.3822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0780 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 4.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9475 -4.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 5.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1036 -4.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4626 -4.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 6.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -5.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -4.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 4.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 4.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6795 3.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 2.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8288 -3.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0406 -1.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0244 -3.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5783 -3.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5603 -3.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 5.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1692 -1.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8404 -0.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2067 3.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 4.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6952 4.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 3.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 1.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4977 -2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7395 -3.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8267 -5.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 6.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 6.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 6.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 -4.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -4.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -5.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 0.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0317 0.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 13 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 2 16 2 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 22 5 1 1 0 0 0 5 55 1 0 0 0 0 27 6 1 6 0 0 0 24 7 1 6 0 0 0 7 56 1 0 0 0 0 8 25 1 0 0 0 0 8 57 1 0 0 0 0 9 30 1 0 0 0 0 11 66 1 0 0 0 0 12 33 2 0 0 0 0 14 34 2 0 0 0 0 15 67 1 0 0 0 0 17 37 2 0 0 0 0 21 18 1 1 0 0 0 18 33 1 0 0 0 0 18 49 1 0 0 0 0 19 29 1 0 0 0 0 19 32 1 0 0 0 0 19 34 1 0 0 0 0 20 34 1 0 0 0 0 20 37 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 31 1 1 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 43 1 0 0 0 0 26 30 1 0 0 0 0 26 44 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 48 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 35 2 0 0 0 0 32 58 1 0 0 0 0 33 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 M END > M2MDB003571 > M2MDB > [H]OC1([H])C([H])([H])C([H])(OC1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@]1([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H])N1C([H])=C(C(=O)N([H])C1=O)C([H])([H])[H] > InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10?,11?,12?,13+,14+,15-,17-/m1/s1 > YHXQWYBLXUELDA-QVDZPGAXSA-N > C18H29N3O15P2 > 589.3815 > 589.107390297 > 12 > 50.35444030254551 > 0 > 7 > 0 > 0 > [({[(2R,3R,4S,5R,6R)-5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]({[3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid > -0.98 > -2.9415447533333325 > -1.93 > 1 > 3 > -2 > 3.1564689574070495 > 1.7358461641173415 > -0.3821063187230632 > 259.95 > 118.85979999999998 > 9 > 0 > 7.00e+00 g/l > {[(2R,3R,4S,5R,6R)-5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy(hydroxy)phosphoryl}oxy[3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphinic acid > 0 > ECMDB23181 > TDP-Fuc4NAc $$$$