5287580 -OEChem-10051719423D 14 13 0 1 0 0 0 0 0999 V2000 -1.3013 -1.4124 0.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7951 0.2514 -0.8527 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 1.8361 0.4249 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 0.3828 0.4482 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3442 -0.0630 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -0.2372 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -0.7579 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 0.0738 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2483 0.1977 -1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0603 2.1599 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 2.2851 0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1726 -1.0515 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 -1.0443 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1502 -1.8035 0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END > DB01804 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RQVLGLPAZTUBKX-GSVOUGTGSA-N/SDF?record_type=3d > [NH3+][C@H](C=C)C([O-])=O > InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1 > RQVLGLPAZTUBKX-GSVOUGTGSA-N > C4H7NO2 > 101.1039 > 101.047678473 > 2 > 14 > -0.01095969212266501 > 9.571297382781786 > 1 > 1 > 0 > 0 > (2R)-2-azaniumylbut-3-enoate > -1.72 > -2.465184833932763 > -1.30 > 0 > 0 > 0 > 0 > 2.422371811189335 > 8.952891990658918 > 67.77000000000001 > 47.0413 > 2 > 1 > 7.71e+00 g/l > biotin > 0 $$$$