HMDB0028701 RDKit 3D Alanyl-Gamma-glutamate 30 29 0 0 0 0 0 0 0 0999 V2000 3.8351 0.9555 1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 0.3644 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 -0.3639 -0.4672 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 -0.4526 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6288 -1.6513 -0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 0.1315 -0.0728 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 -0.6150 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 -1.8082 -0.5854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 0.0958 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 -0.8743 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -0.2612 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6827 -1.2452 -0.0485 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8218 0.9330 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 0.9275 -1.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 2.0760 -0.4005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8335 0.8893 1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5306 2.0324 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0899 0.4284 1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 1.2009 -0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 -1.2036 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6439 -0.4950 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2938 1.1225 0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 0.9595 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 0.4980 1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 -1.8214 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -1.1852 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6796 0.0165 1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4706 -2.0553 0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8412 -1.4305 -1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4005 2.8315 0.1928 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 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 9 1 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 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 6 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 15 30 1 0 M END