6994741 -OEChem-10051720063D 23 22 0 1 0 0 0 0 0999 V2000 -0.3828 -1.6697 0.7356 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 1.9089 0.1825 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 0.1134 1.1287 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6567 -1.3158 -1.2188 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 0.3434 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 -0.7175 -0.3151 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7880 -0.2234 -0.7790 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0383 1.3245 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 -0.3401 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5231 0.5764 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 0.9100 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0652 -1.2717 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 0.4317 -1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 1.8927 -1.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 2.0463 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4893 0.8001 -1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 -0.9626 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3545 -0.9742 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6089 0.4051 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 -1.8816 -1.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -1.9388 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 -2.4455 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7559 2.4241 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 23 1 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 4 21 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 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END > DB02978 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZAYJDMWJYCTABM-WHFBIAKZSA-N/SDF?record_type=3d > CC(C)[C@H](O)[C@H](N)C(O)=O > InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1 > ZAYJDMWJYCTABM-WHFBIAKZSA-N > C6H13NO3 > 147.1723 > 147.089543287 > 4 > 23 > -0.010189620873891858 > 15.049264748226728 > 1 > 3 > 0 > 0 > (2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid > -2.46 > -2.5826462443265084 > 0.17 > 0 > 0 > 0 > 0 > 14.393138404507944 > 2.440831801737717 > 8.98618846296235 > 83.55000000000001 > 35.455400000000004 > 3 > 1 > 2.17e+02 g/l > tetrahydrofolic acid > 0 $$$$