6971018 -OEChem-10051719093D 19 18 0 1 0 0 0 0 0999 V2000 2.3064 -0.5450 0.2640 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3644 1.4168 -0.4278 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1697 -1.7734 0.3989 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1640 0.4302 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.5374 -0.4178 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5041 -0.2417 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 1.0704 1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 0.1800 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0509 1.2459 -0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0544 -0.8907 -1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -0.7382 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 0.5052 -0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7846 -0.9819 0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 1.7761 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3215 1.6296 1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 0.3186 1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 -2.4127 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 -2.2964 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2527 -1.5625 1.4018 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 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > DB00161 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KZSNJWFQEVHDMF-BYPYZUCNSA-N/SDF?record_type=3d > CC(C)[C@H](N)C(O)=O > InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 > KZSNJWFQEVHDMF-BYPYZUCNSA-N > C5H11NO2 > 117.1463 > 117.078978601 > 3 > 19 > -0.0024582176986185367 > 12.191412403732404 > 1 > 2 > 0 > 0 > (2S)-2-amino-3-methylbutanoic acid > -2.29 > -1.953136464200883 > 0.26 > 0 > 0 > 0 > 0 > 2.7172733818557755 > 9.599176382928611 > 63.31999999999999 > 29.4929 > 2 > 1 > 2.14e+02 g/l > tetrahydrofolic acid > 0 $$$$