HMDB0011654 RDKit 3D 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 38 38 0 0 0 0 0 0 0 0999 V2000 -4.7995 0.0815 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5821 -0.6627 -0.4968 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9884 -0.5450 0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 0.8330 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 1.4593 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 0.8227 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 -0.2281 0.7054 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 -0.4444 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8637 0.5408 -0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 0.7491 -1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 -0.2560 -1.0009 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8019 -1.6212 -1.2288 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7416 -0.0354 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8997 -0.9976 1.1141 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0864 1.2495 0.7179 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7543 1.2852 -0.7274 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0908 -1.6626 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6442 -1.9086 2.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7081 -2.4833 0.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4738 -0.2198 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6304 1.1709 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2886 -0.2070 -1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 -1.6820 -0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 -0.3027 -1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 -0.6592 1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 0.9242 2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4418 1.4890 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3379 2.4963 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 1.7054 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2343 -1.2396 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4895 1.7628 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9258 0.7531 -2.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 -0.0666 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 -1.8693 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1856 -2.2918 -0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5058 2.0574 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 2.1219 -1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 -2.1192 -0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 9 16 1 0 3 17 1 0 17 18 2 0 17 19 1 0 16 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 8 30 1 0 10 31 1 0 10 32 1 0 11 33 1 6 12 34 1 0 12 35 1 0 15 36 1 0 16 37 1 0 19 38 1 0 M CHG 1 2 1 M END