Mrv0541 11281414262D 67 69 0 0 0 0 999 V2000 0.7145 0.4125 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 0.0000 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 0 0 0 0 0 0 0 0 0 0 1.4290 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8579 1.6500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 O 0 5 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 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.5374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8578 -4.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 -5.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 -5.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -4.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 -3.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 -4.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 -4.1242 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -4.5367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.8242 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8583 -5.7747 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 14 1 6 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 50 49 1 0 0 0 0 50 52 1 0 0 0 0 50 51 1 6 0 0 0 51 54 1 0 0 0 0 52 53 2 0 0 0 0 54 56 1 0 0 0 0 56 55 2 0 0 0 0 56 61 1 0 0 0 0 59 57 1 0 0 0 0 58 57 1 0 0 0 0 60 57 2 0 0 0 0 58 61 1 0 0 0 0 58 62 1 1 0 0 0 63 62 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 52 67 1 0 0 0 0 M CHG 5 45 -1 47 -1 59 -1 66 1 67 -1 M END > CHEBI:83903 > UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl-L-lysinate(3-) > Trianion of UDP-N-acetyl-α-D-muramoyl-L-alanyl-D-γ-glutamyl-L-lysine; major species at pH 7.3. > 3 > UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine > C34H52N7O24P2 > 1004.75830 > 1004.25554 > -3 > C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](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)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C([O-])=O)C([O-])=O > InChI=1S/C34H55N7O24P2/c1-14(28(49)39-18(32(53)54)7-8-21(44)38-17(31(51)52)6-4-5-10-35)36-29(50)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)47)64-67(58,59)65-66(56,57)60-13-20-24(46)26(48)30(62-20)41-11-9-22(45)40-34(41)55/h9,11,14-15,17-20,23-27,30,33,42,46-48H,4-8,10,12-13,35H2,1-3H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H,40,45,55)/p-3/t14-,15+,17-,18+,19+,20+,23+,24+,25+,26+,27+,30+,33+/m0/s1 > WXBLSQNZKMJACT-BYEZXYKXSA-K > CPD-209 $$$$