6991971 -OEChem-10051720253D 17 16 0 1 0 0 0 0 0999 V2000 -1.1660 1.6282 -0.4744 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4583 0.1444 0.6805 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 0.2440 1.3308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -1.9127 0.1891 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9319 0.3414 -0.1579 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6755 -0.6807 -0.6634 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7798 -0.3433 -0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5232 0.4738 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6192 0.1049 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.9888 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8117 0.4603 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2701 -1.2151 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 -1.7427 1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1823 -2.6888 -0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6547 -2.2350 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 0.2219 -1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 0.6475 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M CHG 2 1 -1 4 1 M END > DB03943 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DCXYFEDJOCDNAF-UWTATZPHSA-N/SDF?record_type=3d > N[C@H](CC(N)=O)C(O)=O > InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1 > DCXYFEDJOCDNAF-UWTATZPHSA-N > C4H8N2O3 > 132.1179 > 132.053492132 > 4 > 17 > -0.03553750070816247 > 11.774333776132538 > 1 > 3 > 0 > 0 > (2R)-2-amino-3-carbamoylpropanoic acid > -3.36 > -4.287830841089268 > 0.10 > 0 > 0 > 0 > 0 > 16.09048069675879 > 1.998539099392778 > 8.433487205020551 > 106.41 > 28.354900000000004 > 3 > 1 > 1.68e+02 g/l > biotin > 0 $$$$