44272391 -OEChem-10051719083D 19 18 0 1 0 0 0 0 0999 V2000 -2.2046 -0.9028 0.9574 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2820 -1.6059 -1.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.1813 0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.8545 -0.8658 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0621 1.6684 -0.5255 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9820 0.6427 -0.3603 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0830 1.1221 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 0.1551 1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.7601 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 0.0072 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4294 0.6588 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 2.1074 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6781 1.2549 1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6671 -0.8331 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 0.5239 1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6453 1.7451 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6844 1.4274 -1.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 2.6004 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3879 -1.2706 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 10 1 0 0 0 0 3 19 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 M CHG 2 1 -1 5 1 M END > DB00142 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WHUUTDBJXJRKMK-VKHMYHEASA-N/SDF?record_type=3d > N[C@@H](CCC(O)=O)C(O)=O > InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 > WHUUTDBJXJRKMK-VKHMYHEASA-N > C5H9NO4 > 147.1293 > 147.053157781 > 5 > 19 > -1.002379472360221 > 13.321186860931029 > 1 > 3 > 0 > 0 > (2S)-2-aminopentanedioic acid > -3.54 > -3.241447075983049 > -0.26 > 0 > -1 > 0 > -1 > 4.27124634014693 > 1.8777772810395927 > 9.536217151721162 > 100.61999999999999 > 31.287699999999997 > 4 > 1 > 8.06e+01 g/l > biotin > 0 $$$$