HMDB0240341 RDKit 3D N-Acetyl-3-methylhistidine 28 28 0 0 0 0 0 0 0 0999 V2000 3.6702 1.5102 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 0.8104 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 0.9956 1.7664 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7469 -0.0940 -0.0811 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7775 -0.7630 0.7233 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6130 -0.7882 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2787 0.4982 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 1.7658 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 2.6161 -0.1009 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 1.8799 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 0.5821 -0.4708 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3909 -0.5290 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 -2.2109 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 -2.6159 0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4334 -3.1040 1.5454 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3244 2.1003 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 0.7734 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 2.1638 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 -0.2889 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 -0.3904 1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7446 -1.4305 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2229 -1.3250 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 2.1023 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8048 2.2494 -0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4255 -0.2144 -0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3328 -1.3317 -0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0116 -0.9802 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1345 -3.9814 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 5 13 1 0 13 14 2 0 13 15 1 0 11 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 1 6 21 1 0 6 22 1 0 8 23 1 0 10 24 1 0 12 25 1 0 12 26 1 0 12 27 1 0 15 28 1 0 M END