PGG Mrv0541 02241214042D 23 23 0 0 0 0 999 V2000 -2.0795 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8456 -0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4938 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6099 1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 -0.2164 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 -1.4313 -0.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9714 0.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -0.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7491 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5151 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 -0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -0.3185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0455 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5776 -0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 -0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9919 -1.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4616 0.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0241 1.5187 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7902 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9063 2.3353 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 6 0 0 0 7 9 1 1 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 2 21 1 23 -1 M END > DB08394 > drugbank > OC(=O)CNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O > InChI=1S/C12H15N2O8P/c15-11(13-8-12(16)17)2-1-7-23(20,21)22-10-5-3-9(4-6-10)14(18)19/h3-6H,1-2,7-8H2,(H,13,15)(H,16,17)(H,20,21) > WLNKGRQBMNPVSJ-UHFFFAOYSA-N > C12H15N2O8P > 346.2299 > 346.056601978 > 7 > 38 > -1.9995329096129109 > 30.434280514910043 > 1 > 3 > 0 > 1 > 2-{4-[hydroxy(4-nitrophenoxy)phosphoryl]butanamido}acetic acid > 0.12 > -0.06611671933333299 > -3.30 > 0 > -2 > 1 > -2 > 3.6715374484034333 > 1.8024106615430797 > -1.9005634307514014 > 156.07000000000002 > 76.22469999999998 > 9 > 1 > 1.74e-01 g/l > biotin > 0 > DB08394 > experimental > PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE $$$$