6971294 -OEChem-10051719283D 24 24 0 1 0 0 0 0 0999 V2000 -3.1192 1.6368 0.8968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9457 -1.5040 -0.2514 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2145 -0.8908 1.8209 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 -1.0522 0.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 0.3955 -0.7188 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5204 1.4685 -0.2565 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2601 0.7489 0.1153 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2718 0.8996 -1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9968 1.2007 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4039 -0.9256 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -0.6891 0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2237 0.8004 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5878 -1.4754 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6107 -0.6133 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8758 1.3229 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1975 1.9560 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6583 0.3824 -1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.4597 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 2.4536 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 1.0310 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6574 2.2141 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -1.5112 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8248 -2.5093 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9294 1.1235 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 24 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 14 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 9 21 1 0 0 0 0 10 13 2 0 0 0 0 10 22 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 M CHG 2 2 -1 6 1 M END > DB01055 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WZNJWVWKTVETCG-YFKPBYRVSA-N/SDF?record_type=3d > N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O > InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1 > WZNJWVWKTVETCG-YFKPBYRVSA-N > C8H10N2O4 > 198.176 > 198.064056818 > 6 > 24 > -0.008835929376817764 > 18.200321482720234 > 1 > 3 > 0 > 0 > (2S)-2-amino-3-(3-hydroxy-4-oxo-1,4-dihydropyridin-1-yl)propanoic acid > -2.43 > -2.9594416852973717 > -1.18 > 0 > 0 > 1 > 0 > 11.664323880708793 > 1.9350555726746739 > 9.050550014953574 > 103.85999999999999 > 48.6582 > 3 > 1 > 1.31e+01 g/l > tetrahydrofolic acid > 0 $$$$