HMDB0244546 RDKit 3D N-(2-Methylacryloyl)-L-histidine 29 29 0 0 0 0 0 0 0 0999 V2000 3.2832 1.1224 1.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4008 1.0224 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 2.0528 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 -0.1050 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5238 -0.9823 1.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5161 -0.2484 -0.7522 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 -1.3382 -0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 -0.8658 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 -0.1362 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 -0.7101 1.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 0.3077 2.6658 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 1.4628 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9003 1.1836 0.8034 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2487 -2.1235 -2.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 -1.7846 -2.8585 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0259 -3.2259 -2.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 0.3941 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9691 1.9462 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 2.9831 -0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 1.6771 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3304 2.2908 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4784 0.4741 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 -2.0337 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 -0.1624 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4794 -1.7780 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 -1.7632 1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 2.4402 2.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 1.8732 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 -3.9730 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 7 14 1 0 14 15 2 0 14 16 1 0 13 9 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 12 27 1 0 13 28 1 0 16 29 1 0 M END