HMDB0029060 RDKit 3D Threonylglutamic acid 33 32 0 0 0 0 0 0 0 0999 V2000 4.0335 -0.5101 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 -0.1341 -0.1773 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2747 0.7195 0.8429 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 0.5127 -1.0373 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3434 1.7258 -1.5933 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 0.7910 -0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2194 1.9900 -0.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1414 -0.2252 0.4421 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 0.1171 1.2235 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5389 -0.6308 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8013 -0.2757 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9923 -0.9491 -1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 -1.7135 -0.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3474 -0.7137 -2.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0281 -0.2063 2.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 -0.6973 3.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9704 0.0202 3.6452 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -1.5654 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -0.4266 -0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 0.1852 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 -1.0481 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2504 0.6188 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5536 -0.1532 -1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 2.0591 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 2.4666 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 -1.2117 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 1.2106 1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3929 -0.2228 1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4893 -1.6975 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8983 -0.5747 -1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9012 0.8069 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3817 0.2291 -2.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0877 -0.4971 4.4844 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 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 9 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 1 3 22 1 0 4 23 1 6 5 24 1 0 5 25 1 0 8 26 1 0 9 27 1 1 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 17 33 1 0 M END