HMDB0000927 RDKit 3D Valerylglycine 24 23 0 0 0 0 0 0 0 0999 V2000 -3.9832 -0.0103 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 -0.4538 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9339 -0.2393 -0.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5009 -0.6054 -1.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4298 0.1432 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 1.0081 0.5028 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8149 -0.1464 -0.3254 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7558 0.5631 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 0.0953 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3901 -0.8100 -0.5654 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1989 0.6332 0.9628 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5767 -0.4541 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 1.0962 0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 -0.2982 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -1.5191 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.1491 1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 0.8325 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5136 -0.8190 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3243 -1.7000 -1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 -0.3177 -2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.8704 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 1.6664 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 0.4366 1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 1.6199 1.1625 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 11 24 1 0 M END