Marvin 07141017082D 29 30 0 0 1 0 999 V2000 15.5336 -6.1803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0487 -5.5129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2642 -5.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2642 -6.5928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0487 -6.8477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3037 -4.7282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1106 -4.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7517 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3586 -6.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3657 -3.7721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6628 -5.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0067 -3.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3037 -7.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8136 -3.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0686 -2.3743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5967 -7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8822 -6.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4531 -6.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1677 -7.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7387 -7.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7387 -7.0777 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.7387 -6.2527 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1677 -7.0777 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.1677 -6.2527 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.0243 -6.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3097 -7.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5953 -6.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8808 -7.0777 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1663 -6.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 6 0 0 0 2 1 1 0 0 0 0 2 6 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 1 0 0 0 1 5 1 0 0 0 0 4 5 1 0 0 0 0 5 13 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 10 14 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 23 1 0 0 0 0 23 18 1 0 0 0 0 18 21 1 0 0 0 0 23 19 2 0 0 0 0 21 20 2 0 0 0 0 21 25 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 3 22 -1 24 -1 28 1 M END > CHEBI:57547 > CDP-N-methylethanolamine(1-) > Conjugate base of CDP-N-methylethanolamine having a dianionic diphosphate group and a protonated secondary amino group. > 3 > CDP-N-methylethanolamine anion; CDP-N-methylethanolamine > cytidine 5'-{3-[2-(methylazaniumyl)ethyl] diphosphate} > C12H21N4O11P2 > 459.26290 > 459.06876 > -1 > C[NH2+]CCOP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O > InChI=1S/C12H22N4O11P2/c1-14-3-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)16-4-2-8(13)15-12(16)19/h2,4,7,9-11,14,17-18H,3,5-6H2,1H3,(H,20,21)(H,22,23)(H2,13,15,19)/p-1/t7-,9-,10-,11-/m1/s1 > RSPRLQAZJOAGFP-QCNRFFRDSA-M $$$$