Marvin 07091011332D 38 41 0 0 1 0 999 V2000 13.7132 -3.8920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3806 -4.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9285 -4.1468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9681 -3.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0480 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4668 -5.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2611 -3.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6736 -4.9315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7931 -3.1073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8017 -4.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2205 -5.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5937 -4.1468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8486 -4.9315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1585 -5.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8879 -5.0479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4692 -3.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3637 -5.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1959 -4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3709 -4.4440 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.5459 -4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3709 -5.2690 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.3709 -3.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7209 -4.4440 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.7209 -5.2690 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7209 -3.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8090 -3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8959 -4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 -4.8565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7525 -4.8565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4670 -4.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4670 -6.0940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4670 -6.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 -5.6815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8959 -6.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7525 -5.6815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0380 -6.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -4.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 -4.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 1 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 6 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 12 26 1 1 0 0 0 13 17 1 6 0 0 0 5 9 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 26 18 1 0 0 0 0 28 27 1 6 0 0 0 33 28 1 0 0 0 0 30 28 1 0 0 0 0 30 29 1 0 0 0 0 29 35 1 0 0 0 0 35 31 1 0 0 0 0 31 33 1 0 0 0 0 29 37 1 1 0 0 0 31 32 1 1 0 0 0 33 34 1 6 0 0 0 35 36 1 6 0 0 0 37 38 1 0 0 0 0 M CHG 2 21 -1 24 -1 M END > CHEBI:57498 > ADP alpha-D-glucoside(2-) > A nucleotide-sugar oxoanion resutling from the deprotonation of both free OH groups of the diphosphate group of ADP α-D-glucoside. > 3 > ADP-alpha-D-glucose; ADP alpha-D-glucoside dianion > adenosine 5'-[3-(alpha-D-glucopyranosyl) diphosphate] > C16H23N5O15P2 > 587.32580 > 587.06769 > -2 > Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O > InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/p-2/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1 > WFPZSXYXPSUOPY-ROYWQJLOSA-L > ADP-D-GLUCOSE $$$$