Ketcher 01312411472D 1 1.00000 0.00000 0 32 33 0 1 0 999 V2000 6.8909 -3.1673 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.4732 -3.8718 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.0555 -4.5762 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -0.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -2.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -2.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 0.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4788 -3.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6999 -2.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -3.7550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 -3.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -4.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3687 -2.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 3.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6434 -5.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8646 -3.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -5.1639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.8852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.3852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.8852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -0.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 5.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 1 9 1 0 0 0 1 10 1 0 0 0 1 11 2 0 0 0 2 9 1 0 0 0 2 12 1 0 0 0 2 13 1 0 0 0 2 14 2 0 0 0 3 12 1 0 0 0 3 16 1 0 0 0 3 17 1 0 0 0 3 18 2 0 0 0 4 24 1 0 0 0 4 25 1 0 0 0 22 5 1 1 0 0 23 6 1 1 0 0 7 26 1 0 0 0 8 28 2 0 0 0 15 31 2 0 0 0 25 19 1 6 0 0 19 27 1 0 0 0 19 28 1 0 0 0 20 28 1 0 0 0 20 30 2 0 0 0 21 30 1 0 0 0 21 31 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 23 25 1 0 0 0 24 26 1 6 0 0 27 29 2 0 0 0 29 30 1 0 0 0 31 32 1 0 0 0 M END > CHEBI:229512 > N4-Acetylcytidine triphosphate > 2 > [[(2R,3S,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate > C11H18N3O15P3 > 525.192 > 524.99508 > 0 > P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)NC(=O)C)[C@H](O)[C@@H]1O)(OP(OP(O)(O)=O)(O)=O)(O)=O > InChI=1S/C11H18N3O15P3/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H,12,13,15,18)/t6-,8-,9-,10-/m1/s1 > PMLKMGFNRKVFTQ-PEBGCTIMSA-N $$$$