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