Mrv0541 02191515312D 25 25 0 0 1 0 999 V2000 11.6282 -5.0278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3498 -4.6131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9207 -4.6131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6282 -5.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -3.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0644 -5.0174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9207 -3.7835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2096 -5.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9172 -6.2547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6282 -3.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0609 -3.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0644 -5.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2131 -3.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9067 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 -5.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7754 -6.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3533 -6.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4882 -3.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1705 -7.3486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6248 -7.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 -6.9290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7273 -7.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 -6.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0059 -6.9270 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7273 -8.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 1 0 0 0 2 5 1 0 0 0 0 2 6 1 6 0 0 0 3 7 1 0 0 0 0 3 8 1 6 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 1 0 0 0 9 14 1 0 0 0 0 9 15 1 1 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 6 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 7 10 1 0 0 0 0 14 19 1 0 0 0 0 M CHG 1 24 -1 M END > CHEBI:83941 > N-acetyl-D-muramoyl-L-alaninate > The carbohydrate acid derivative anion formed by loss of a proton from the carboxy group of N-acetyl-D-muramoyl-L-alanine; principal microspecies at pH 7.3. > 3 > N-acetyl-D-muramoyl-L-alanine > 2-acetamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoethyl]amino}-1-oxopropan-2-yl]-2-deoxy-D-glucopyranose > C14H23N2O9 > 363.34100 > 363.14090 > -1 > C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C([O-])=O > InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/p-1/t5-,6+,8+,9+,10+,11+,14?/m0/s1 > ICMUIFDBEVJCQA-HAFAVUGZSA-M > C3 $$$$