6503 -OEChem-10051720213D 19 18 0 0 0 0 0 0 0999 V2000 0.0280 -2.1555 0.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 0.3839 0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4461 0.3527 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 1.3581 -1.0446 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 0.2759 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 -1.0600 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 0.4289 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 0.4160 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -1.1610 -1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 -1.1451 -1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 -0.3560 1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 1.3913 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 1.3690 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 -0.3843 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 1.3228 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 2.2620 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0276 -2.9684 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 -0.5378 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3919 1.0543 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 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 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END > DB03754 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LENZDBCJOHFCAS-UHFFFAOYSA-N/SDF?record_type=3d > NC(CO)(CO)CO > InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2 > LENZDBCJOHFCAS-UHFFFAOYSA-N > C4H11NO3 > 121.135 > 121.073893223 > 4 > 19 > 0.9890054575167374 > 12.020503151983146 > 1 > 4 > 0 > 0 > 2-amino-2-(hydroxymethyl)propane-1,3-diol > -2.08 > -2.7122291176666664 > 0.76 > 0 > 1 > 0 > 1 > 14.73541133752484 > 14.164156005824053 > 8.953961646231539 > 86.71000000000001 > 28.3555 > 3 > 1 > 6.95e+02 g/l > biotin > 0 $$$$