25202592 -OEChem-10051719293D 20 19 0 1 0 0 0 0 0999 V2000 2.5226 -1.0628 0.0127 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8270 0.8146 -1.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3837 1.3282 -0.4829 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2363 0.4066 -0.2026 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2940 1.1333 0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9906 0.3658 1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -0.9135 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8596 0.0057 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5635 -2.0778 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 0.2756 -1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8172 1.3368 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0267 2.1130 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6101 0.9757 1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7471 -0.5500 1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 0.9141 -1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 2.2204 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9167 1.5454 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 -0.9135 1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9387 -2.9983 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 -2.1343 -1.2703 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 4 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 M CHG 2 1 -1 3 1 M END > DB01080 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PJDFLNIOAUIZSL-UHFFFAOYSA-N/SDF?record_type=3d > NC(CCC(O)=O)C=C > InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9) > PJDFLNIOAUIZSL-UHFFFAOYSA-N > C6H11NO2 > 129.157 > 129.078978601 > 3 > 20 > 0.006786849613255264 > 13.63530432803394 > 1 > 2 > 0 > 0 > 4-aminohex-5-enoic acid > -2.56 > -2.0949147846992218 > -0.13 > 0 > 0 > 0 > 0 > 4.6081127693185415 > 9.905622436434145 > 63.31999999999999 > 34.2907 > 4 > 1 > 9.66e+01 g/l > biotin > 0 $$$$