5951 -OEChem-11291912083D 14 13 0 1 0 0 0 0 0999 V2000 1.9164 1.0306 -0.2064 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 1.4730 0.6928 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6876 0.0439 -0.8956 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -1.9614 0.3145 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -0.5719 0.4674 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5043 -0.3229 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 0.3087 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -0.3707 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 -0.9735 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 -0.4858 -1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -2.1614 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 -2.1182 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 1.1706 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 2.0607 0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END > DB00133 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MTCFGRXMJLQNBG-REOHCLBHSA-N/SDF?record_type=3d > N[C@@H](CO)C(O)=O > InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 > MTCFGRXMJLQNBG-REOHCLBHSA-N > C3H7NO3 > 105.0926 > 105.042593095 > 4 > 14 > 9.386631521233841 > 1 > 3 > 0 > 0 > (2S)-2-amino-3-hydroxypropanoic acid > -3.42 > -3.8877352328917727 > 0.66 > 0 > 0 > 0 > 15.166073878847005 > 2.033990015469951 > 8.931303956589883 > 83.55 > 22.040999999999997 > 2 > 1 > 4.80e+02 g/l > palladium(2+) (4S,5S,14R,15R)-10-acetyl-4-(2-carboxyethyl)-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-20-[(2-sulfoethyl)carbamoyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaene-21,23-diide > 0 $$$$