Marvin 07221011202D 37 39 0 0 1 0 999 V2000 11.4826 -2.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4826 -1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 -2.4717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9116 -2.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9116 -1.2342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 -0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 -3.2967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5297 -3.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7847 -4.5662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6097 -4.5662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6263 -2.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0947 -5.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7883 -6.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7883 -4.6077 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7883 -5.4327 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.5029 -5.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2998 -5.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8647 -3.7817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6616 -3.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 0.0033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 -6.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8116 -6.5933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8116 -7.4183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 -6.1808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3825 -6.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8116 -4.9434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3825 -4.9434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3825 -4.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6681 -5.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9537 -4.9434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 -5.3559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0970 -4.5309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 -5.3559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0739 -5.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 -4.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8116 -4.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2404 -4.1184 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 1 1 0 0 0 0 7 3 1 1 0 0 0 3 4 1 0 0 0 0 4 11 2 0 0 0 0 4 5 1 0 0 0 0 2 6 1 0 0 0 0 5 6 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 18 10 1 0 0 0 0 9 17 1 1 0 0 0 9 10 1 0 0 0 0 10 12 1 6 0 0 0 34 15 1 0 0 0 0 15 13 2 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 18 19 1 6 0 0 0 33 21 1 0 0 0 0 33 26 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 1 0 0 0 24 31 1 0 0 0 0 31 26 1 0 0 0 0 31 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 6 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 M CHG 2 14 -1 37 -1 M END > CHEBI:59825 > CMP-3-deoxy-alpha-D-manno-octulosonate(2-) > A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-α-D-manno-octulosonic acid. > 3 > CMP-3-deoxy-D-manno-octulosonate dianion > C17H24N3O15P > 541.35730 > 541.09560 > -2 > [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)C([O-])=O)[C@H](O)CO > InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/p-2/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1 > YWWJKULNWGRYAS-XKKDATLGSA-L > CMP-KDO $$$$