12647 -OEChem-10051720303D 17 16 0 1 0 0 0 0 0999 V2000 3.3051 0.5217 -0.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7185 1.5620 0.3379 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -0.3314 -0.6586 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 -1.7834 0.1503 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.3603 0.4866 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8911 0.3584 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -0.2214 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6058 0.2544 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2861 -0.2633 1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 1.4196 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 0.3633 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 -0.1968 1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3419 -1.2583 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3969 -1.9030 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 -2.2128 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1414 0.1089 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 1.9568 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END > DB04193 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UKAUYVFTDYCKQA-VKHMYHEASA-N/SDF?record_type=3d > N[C@@H](CCO)C(O)=O > InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 > UKAUYVFTDYCKQA-VKHMYHEASA-N > C4H9NO3 > 119.1192 > 119.058243159 > 4 > 17 > -0.006868122263636052 > 11.439148714602187 > 1 > 3 > 0 > 0 > (2S)-2-amino-4-hydroxybutanoic acid > -3.31 > -3.8277325124850385 > 0.55 > 0 > 0 > 0 > 0 > 15.933083327320803 > 2.223319649729163 > 9.159110100742131 > 83.55000000000001 > 26.906399999999998 > 3 > 1 > 4.23e+02 g/l > tetrahydrofolic acid > 0 $$$$