Ketcher 07271711432D 1 1.00000 0.00000 0 89 90 0 1 0 999 V2000 32.0601 -15.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0144 -15.4216 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 29.9687 -15.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0144 -14.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0144 -16.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9232 -15.4216 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.9232 -14.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9232 -16.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9224 -14.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7848 -15.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7848 -16.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6473 -16.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9225 -16.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9225 -17.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7850 -18.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7850 -19.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6474 -19.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9226 -19.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9226 -20.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7851 -21.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7851 -22.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9226 -22.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6475 -22.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9228 -23.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7852 -24.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7852 -25.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9228 -25.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6475 -25.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9229 -26.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7852 -27.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7852 -28.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9229 -28.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6476 -28.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0591 -28.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1980 -28.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3384 -28.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3346 -27.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4778 -28.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4685 -26.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6089 -27.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7459 -26.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7451 -25.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8841 -27.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8820 -25.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0202 -25.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1572 -25.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1562 -24.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2952 -25.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2933 -23.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4242 -24.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5613 -23.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6993 -24.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5605 -22.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8364 -23.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9747 -24.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1117 -23.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2498 -24.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1107 -22.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8775 -15.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0151 -14.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1527 -15.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0151 -13.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2902 -14.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1527 -13.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2902 -13.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1526 -16.4173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4278 -15.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4279 -13.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1527 -12.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2903 -11.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2901 -16.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2901 -17.9110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4278 -16.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5653 -14.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7029 -15.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5653 -13.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8404 -14.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7030 -13.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8406 -13.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7029 -16.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9781 -15.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9781 -13.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7030 -12.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8406 -11.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2508 -25.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3889 -25.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3899 -26.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 -27.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2527 -27.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 2 0 0 0 3 6 1 0 0 0 6 59 1 0 0 0 6 7 1 0 0 0 6 8 2 0 0 0 1 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 36 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 44 45 1 0 0 0 45 46 2 0 0 0 46 47 1 0 0 0 46 48 1 0 0 0 47 49 1 0 0 0 49 50 1 0 0 0 50 51 2 0 0 0 51 52 1 0 0 0 51 53 1 0 0 0 52 54 1 0 0 0 54 55 1 0 0 0 55 56 2 0 0 0 56 57 1 0 0 0 56 58 1 0 0 0 34 32 1 0 0 0 60 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 65 1 0 0 0 60 59 1 6 0 0 61 66 1 6 0 0 63 67 1 1 0 0 65 68 1 6 0 0 64 69 1 1 0 0 70 69 1 0 0 0 72 71 2 0 0 0 73 71 1 0 0 0 66 71 1 0 0 0 74 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 78 1 0 0 0 77 79 1 0 0 0 78 79 1 0 0 0 74 67 1 6 0 0 75 80 1 1 0 0 77 81 1 1 0 0 79 82 1 6 0 0 78 83 1 1 0 0 84 83 1 0 0 0 57 85 1 0 0 0 85 86 1 0 0 0 86 87 2 0 0 0 87 88 1 0 0 0 87 89 1 0 0 0 M CHG 2 4 -1 7 -1 M END > CHEBI:137168 > alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2-) > An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of α-D-mannosyl-(1→3)-N-acetyl-α-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol. Major species at pH 7.3. > 3 > alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-di-trans,octa-cis-undecaprenyl diphosphate; alpha-D-Man-(1->3)-alpha-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(2-) > 2-acetamido-2-deoxy-3-O-alpha-D-mannopyranosyl-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-glucopyranose > C69H113NO17P2 > 1290.582 > 1289.74947 > -2 > O(P(OP(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC(=O)C)([O-])=O)([O-])=O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)/C)/C > InChI=1S/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)67(64(75)61(47-72)83-68)85-69-66(77)65(76)63(74)60(46-71)84-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/p-2/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64-,65+,66+,67-,68-,69-/m1/s1 > WZXSCLOEBAZOTJ-GYCJNRKJSA-L > 22989876; 25422321 $$$$