Structure #1 Mrv0541 02241206192D 38 41 0 0 0 0 999 V2000 -5.7689 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0152 6.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1831 1.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 7.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1753 7.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5079 7.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 6.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5964 7.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0891 8.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 1.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7542 7.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 4.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 2.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 4.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8334 5.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7643 3.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3478 5.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1831 1.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9267 5.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0991 4.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 3.6244 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 4.9298 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 32 1 0 0 0 0 3 18 2 0 0 0 0 3 21 1 0 0 0 0 4 7 1 0 0 0 0 4 33 1 0 0 0 0 5 8 1 0 0 0 0 5 34 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 22 2 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 13 20 2 0 0 0 0 13 27 1 0 0 0 0 14 21 1 0 0 0 0 14 34 1 0 0 0 0 15 33 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 28 37 1 0 0 0 0 29 37 2 0 0 0 0 30 38 1 0 0 0 0 31 38 2 0 0 0 0 32 37 1 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 M END > M2MDB000366 > M2MDB > CC1OC(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2NC(=N)N=C3O)C(O)C(O)C1=O > InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27) > PNHLMHWWFOPQLK-UHFFFAOYSA-N > C16H23N5O15P2 > 587.3258 > 587.066588115 > 16 > 49.89264193371237 > 0 > 9 > 0 > 0 > [({[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)oxy]phosphinic acid > -1.28 > -3.6173944752591534 > -1.97 > 1 > 4 > -2 > 3.028134514806997 > 1.7441763452505334 > 4.941581145231438 > 305.03000000000003 > 126.78199999999995 > 8 > 0 > 6.35e+00 g/l > {[3,4-dihydroxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)oxyphosphinic acid > 0 > ECMDB01391 > GDP-4-Dehydro-6-L-deoxygalactose $$$$