Marvin 07161014222D 41 44 0 0 1 0 999 V2000 13.8562 -4.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2852 -4.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2852 -4.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5547 -4.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0698 -5.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0698 -3.8122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8562 -4.0671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5707 -5.3046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5707 -3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5707 -2.8296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7694 -6.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4345 -6.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6894 -7.1098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2769 -7.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5145 -7.1098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9270 -7.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7201 -5.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0057 -6.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3557 -6.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7057 -6.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9911 -6.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2766 -6.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9911 -7.5628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5745 -8.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2766 -7.9753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2766 -8.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -7.5628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8477 -7.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8477 -5.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -5.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8477 -6.3253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1332 -6.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1020 -5.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -6.7378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5307 -5.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 -6.3253 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 -7.1503 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1807 -5.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1807 -6.3253 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.1807 -7.1503 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5622 -5.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 7 1 0 0 0 0 9 3 2 0 0 0 0 7 1 2 0 0 0 0 1 8 1 0 0 0 0 8 2 2 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 6 3 1 0 0 0 0 6 4 2 0 0 0 0 5 4 1 0 0 0 0 9 10 1 0 0 0 0 33 12 1 0 0 0 0 33 11 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 15 11 1 0 0 0 0 12 17 1 1 0 0 0 13 14 1 6 0 0 0 15 16 1 6 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 39 19 1 0 0 0 0 19 36 1 0 0 0 0 36 20 1 0 0 0 0 20 21 1 0 0 0 0 23 21 1 0 0 0 0 22 21 1 0 0 0 0 22 34 1 0 0 0 0 34 27 1 0 0 0 0 27 25 1 0 0 0 0 25 23 1 0 0 0 0 23 24 1 1 0 0 0 25 26 1 1 0 0 0 27 28 1 6 0 0 0 34 31 1 0 0 0 0 31 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 1 0 0 0 11 5 1 1 0 0 0 36 35 2 0 0 0 0 36 37 1 0 0 0 0 39 38 2 0 0 0 0 39 40 1 0 0 0 0 34 41 1 6 0 0 0 M CHG 2 37 -1 40 -1 M END > CHEBI:57564 > ADP-L-glycero-D-manno-heptose(2-) > Dianion of ADP-L-glycero-D-manno-heptose arising from deprotonation of both free OH groups of the diphosphate. > 3 > ADP-L-glycero-D-manno-heptose dianion > adenine 5'-[3-(L-glycero-D-manno-heptopyranosyl) diphosphate] > C17H25N5O16P2 > 617.35180 > 617.07825 > -2 > [H][C@@]1(OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO > InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/p-2/t5-,6+,8+,9-,10-,11+,12-,13+,16+,17?/m0/s1 > KMSFWBYFWSKGGR-XRLZOAFQSA-L $$$$