11KYN_KTP_A_601 2 RCSB PDB12061703083D 3Coordinates from PDB:1KYN:A:601 Model:1 without hydrogens 4 27 30 0 0 0 0 999 V2000 5 27.8380 29.9660 -10.0090 P 0 0 0 0 0 0 0 0 0 0 0 0 6 28.8980 30.5040 -9.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 7 27.8300 32.3130 -13.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 8 27.0030 31.2560 -11.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 9 27.7890 32.4570 -12.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 10 28.5770 28.8080 -10.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 11 26.7670 29.2760 -9.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 12 28.5230 33.7920 -11.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 13 28.6370 34.2440 -10.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 14 29.2880 35.4500 -10.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 15 29.3870 35.8780 -8.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 16 30.0440 37.0900 -8.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 17 30.6060 37.8890 -9.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 18 30.5140 37.4670 -11.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 19 29.8660 36.2640 -11.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 20 29.7610 35.8340 -12.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 21 29.0990 34.6130 -12.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 22 26.2530 29.2250 -12.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 23 25.9220 30.4300 -11.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 24 24.5210 30.8960 -11.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 25 24.1010 32.0970 -11.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 26 22.7360 32.5220 -11.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 27 21.7790 31.7400 -12.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 28 22.1850 30.5220 -12.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 29 23.5310 30.0950 -12.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 30 23.9270 28.9020 -13.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 31 25.2830 28.4680 -13.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 32 1 2 2 0 0 0 0 33 1 4 1 0 0 0 0 34 1 6 1 0 0 0 0 35 1 7 1 0 0 0 0 36 3 5 2 0 0 0 0 37 4 5 1 0 0 0 0 38 4 19 1 0 0 0 0 39 5 8 1 0 0 0 0 40 8 9 2 0 0 0 0 41 8 17 1 0 0 0 0 42 9 10 1 0 0 0 0 43 10 11 2 0 0 0 0 44 10 15 1 0 0 0 0 45 11 12 1 0 0 0 0 46 12 13 2 0 0 0 0 47 13 14 1 0 0 0 0 48 14 15 2 0 0 0 0 49 15 16 1 0 0 0 0 50 16 17 2 0 0 0 0 51 18 19 2 0 0 0 0 52 18 27 1 0 0 0 0 53 19 20 1 0 0 0 0 54 20 21 2 0 0 0 0 55 20 25 1 0 0 0 0 56 21 22 1 0 0 0 0 57 22 23 2 0 0 0 0 58 23 24 1 0 0 0 0 59 24 25 2 0 0 0 0 60 25 26 1 0 0 0 0 61 26 27 2 0 0 0 0 62A 1 63P1 64A 2 65O1 66A 3 67O2 68A 4 69C1 70A 5 71C2 72A 6 73O3 74A 7 75O4 76A 8 77C3 78A 9 79C4 80A 10 81C5 82A 11 83C6 84A 12 85C7 86A 13 87C8 88A 14 89C9 90A 15 91C10 92A 16 93C11 94A 17 95C12 96A 18 97C13 98A 19 99C14 100A 20 101C15 102A 21 103C16 104A 22 105C17 106A 23 107C18 108A 24 109C19 110A 25 111C20 112A 26 113C21 114A 27 115C22 116M END 117> <InstanceId> 1181KYN_KTP_A_601 119 120> <ChemCompId> 121KTP 122 123> <PdbId> 1241KYN 125 126> <ChainId> 127A 128 129> <ResidueNumber> 130601 131 132> <InsertionCode> 133 134 135> <Model> 1361 137 138> <AltIds> 139 140 141> <MissingHeavyAtoms> 1420 143 144> <ObservedFormula> 145C22 O4 P 146 147> <Name> 148(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID 149 150> <SystematicName> 151[(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxo-ethyl]phosphonic acid 152 153> <Synonyms> 154BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID 155 156> <Type> 157NON-POLYMER 158 159> <Formula> 160C22 H17 O4 P 161 162> <MolecularWeight> 163376.342 164 165> <ModifiedDate> 1662011-06-04 167 168> <Parent> 169 170 171> <OneLetterCode> 172 173 174> <SubcomponentList> 175 176 177> <AmbiguousFlag> 178N 179 180> <InChI> 181InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1 182 183> <InChIKey> 184OFHMUASCSJJNNA-JOCHJYFZSA-N 185 186> <SMILES> 187c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3cccc4)P(=O)(O)O 188 189$$$$ 190