Ketcher 03061716162D 1 1.00000 0.00000 0 31 33 0 0 0 999 V2000 0.8661 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 6.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 0 0 0 2 1 2 0 0 0 9 2 1 0 0 0 3 1 1 0 0 0 22 3 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 11 5 2 0 0 0 6 4 1 0 0 0 6 5 1 0 0 0 12 6 2 0 0 0 10 7 1 0 0 0 10 8 1 0 0 0 9 8 1 0 0 0 15 9 2 0 0 0 16 10 2 0 0 0 13 11 1 0 0 0 14 12 1 0 0 0 14 13 2 0 0 0 17 13 1 0 0 0 18 14 1 0 0 0 19 26 1 0 0 0 20 19 1 0 0 0 19 23 1 1 0 0 21 20 1 0 0 0 20 24 1 6 0 0 22 21 1 0 0 0 21 25 1 1 0 0 26 27 1 0 0 0 27 30 1 0 0 0 30 28 1 0 0 0 30 29 1 0 0 0 30 31 2 0 0 0 M CHG 3 7 -1 28 -1 29 -1 M END > CHEBI:133886 > FMNH2(3-) > A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as position N1 of FMNH2. > 3 > 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-1-id-10(5H)-yl)-5-O-phosphonato-D-ribitol > C17H20N4O9P > 455.337 > 455.09844 > -3 > C=12[N-]C(NC(C1NC=3C(N2C[C@@H]([C@@H]([C@@H](COP([O-])([O-])=O)O)O)O)=CC(=C(C3)C)C)=O)=O > InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H4,19,20,25,26,27,28,29)/p-3/t11-,12+,14-/m0/s1 > PFFFVMLSJAOGEY-SCRDCRAPSA-K > 8422349 $$$$