36688842 -OEChem-10051720063D 21 20 0 1 0 0 0 0 0999 V2000 -0.4700 0.6859 -1.0446 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 -0.7794 -0.4591 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4949 -1.7721 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -1.2204 -0.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4043 1.7486 -0.0500 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2554 -0.0643 1.2649 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 0.5602 0.6234 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2727 0.7770 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 -0.7995 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 1.0569 -0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 -0.1929 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 0.6252 1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 0.0136 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0344 1.7531 1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4314 1.7012 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 2.6303 0.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1296 1.8028 -1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 1.8936 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7329 1.3519 -1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1433 0.7919 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7072 -0.8384 1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 11 2 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 11 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 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 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M CHG 2 2 -1 5 1 M END > DB02987 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VFKYKPOTSJWPIU-VKHMYHEASA-N/SDF?record_type=3d > N[C@@H](CSCC(N)=O)C(O)=O > InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 > VFKYKPOTSJWPIU-VKHMYHEASA-N > C5H10N2O3S > 178.21 > 178.041212886 > 4 > 21 > -0.01446462691158309 > 17.09605658513616 > 1 > 3 > 0 > 0 > (2R)-2-amino-3-[(carbamoylmethyl)sulfanyl]propanoic acid > -3.03 > -4.045299602739284 > -0.92 > 0 > 0 > 0 > 0 > 15.97797947163153 > 2.0744164163563275 > 8.831346088768122 > 106.41 > 40.929 > 5 > 1 > 2.15e+01 g/l > tetrahydrofolic acid > 0 $$$$