Marvin 04210816582D 49 51 0 0 1 0 999 V2000 0.7145 0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7144 -4.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -4.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -5.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 2.1349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9543 2.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7389 1.8800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7389 3.2149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2239 2.5474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9939 1.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9939 3.9995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0489 2.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4419 4.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8009 4.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6968 5.3972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 4.4411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 4.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 5.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 6.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.6500 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1.4290 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 2 15 1 6 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 4 7 1 1 0 0 0 3 5 1 0 0 0 0 5 11 1 1 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 6 0 0 0 9 7 1 0 0 0 0 9 19 1 0 0 0 0 9 10 1 1 0 0 0 11 12 1 0 0 0 0 13 44 2 0 0 0 0 44 14 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 17 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 22 20 1 0 0 0 0 22 24 1 0 0 0 0 22 23 1 6 0 0 0 24 49 1 0 0 0 0 24 25 2 0 0 0 0 26 48 1 1 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 6 0 0 0 29 32 1 1 0 0 0 29 30 1 0 0 0 0 30 33 1 6 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 35 38 2 0 0 0 0 36 39 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 44 41 1 0 0 0 0 41 46 1 0 0 0 0 46 42 2 0 0 0 0 46 43 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 M END > CHEBI:16932 > UDP-N-acetylmuramoyl-L-alanine > 3 > CHEBI:13478; CHEBI:9830; CHEBI:13459; CHEBI:22123 > uridine 5'-(3-{2-acetylamino-3-O-[2-(L-alaninocarboxy)ethyl]-2-deoxy-D-glucopyranosyl}dihydrogen diphosphate) > C23H36N4O20P2 > 750.49442 > 750.13981 > 0 > C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(O)=O > InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22?/m0/s1 > NTMMCWJNQNKACG-CPDMUANVSA-N > 8249201 $$$$