HMDB0000726 RDKit 3D Isovalerylglutamic acid 33 32 0 0 0 0 0 0 0 0999 V2000 -2.8371 1.3509 2.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4037 1.2872 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 2.5832 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 0.1463 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.3806 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7935 1.4249 0.4863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 -0.5341 -0.6243 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 -0.2659 -0.6544 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7265 -1.4113 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2107 -1.2422 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 -2.3872 0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 -3.2611 1.3305 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1931 -2.4655 1.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -0.2108 -2.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7357 -0.4438 -3.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8341 0.0860 -2.4133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6766 1.1336 2.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 0.6019 2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4577 2.3566 2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4939 1.0313 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1776 3.0765 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 3.2834 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7581 2.4018 -1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 0.1174 -0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8837 -0.7972 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.4190 -1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2368 0.6995 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 -2.3417 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2781 -1.4623 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6595 -1.3414 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5311 -0.2623 0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7315 -1.8381 1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 -0.2773 -3.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 8 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 7 26 1 0 8 27 1 1 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 13 32 1 0 16 33 1 0 M END