![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
Z69 : Summary
Code ![](/pdbe/static/images/help.png)
|
Z69
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(1S,2R,3R,4S,5R,6S)-2-(alpha-L-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-O-[(1R)-1-hydroxyhexadecyl]-beta-L-gulopyranosyl}oxy)cyclohexyl (2R)-2-{[(1S)-1-hydroxyhexadecyl]oxy}-3-{[(1S,10S)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (R)-phosphate
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C72 H141 O24 P
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
1421.849 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=P(OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCC(C)CCCCCCCC)(O)OC3C(OC1OC(C(O)C(O)C1O)COC(O)CCCCCCCCCCCCCCC)C(O)C(O)C(O)C3OC2OC(CO)C(O)C(O)C2O |
SMILES
|
CACTVS |
3.370 |
CCCCCCCCCCCCCCC[CH](O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](CO[CH](O)CCCCCCCC[CH](C)CCCCCCCC)O[CH](O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]1O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCCCCCCCCCCCCCCC(O)OCC1C(C(C(C(O1)OC2C(C(C(C(C2OP(=O)(O)OCC(COC(CCCCCCCCC(C)CCCCCCCC)O)OC(CCCCCCCCCCCCCCC)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O |
Canonical SMILES
|
CACTVS |
3.370 |
CCCCCCCCCCCCCCC[C@H](O)OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H]2O[P](O)(=O)OC[C@@H](CO[C@H](O)CCCCCCCC[C@@H](C)CCCCCCCC)O[C@H](O)CCCCCCCCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]1O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)OC[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O)O)O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C72H141O24P/c1-5-8-11-14-17-19-21-23-25-27-29-35-41-46-57(75)89-51-55-60(78)62(80)67(85)72(93-55)95-69-65(83)63(81)64(82)68(94-71-66(84)61(79)59(77)54(48-73)92-71)70(69)96-97(86,87)90-50-53(91-58(76)47-42-37-30-28-26-24-22-20-18-15-12-9-6-2)49-88-56(74)45-40-36-32-31-34-39-44-52(4)43-38-33-16-13-10-7-3/h52-85H,5-51H2,1-4H3,(H,86,87)/t52-,53+,54-,55-,56-,57+,58-,59-,60+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71-,72+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BAUIYLWUNSEMCF-OVJHHBNUSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
238 (97 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2010-04-19
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|
|
Z69 : Atoms of Molecule
Total Number of Atoms: 238
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
O47 |
O |
O47 |
N |
N |
N |
0 |
4.548 |
5.28 |
-0.983 |
2 |
P46 |
P |
P46 |
N |
N |
N |
0 |
4.465 |
4.368 |
0.18 |
3 |
O48 |
O |
O48 |
N |
N |
N |
0 |
4.899 |
5.159 |
1.514 |
4 |
O49 |
O |
O49 |
N |
N |
N |
0 |
2.954 |
3.837 |
0.339 |
5 |
C50 |
C |
C50 |
N |
N |
N |
0 |
1.829 |
4.712 |
0.45 |
6 |
C51 |
C |
C51 |
R |
N |
N |
0 |
0.55 |
3.883 |
0.587 |
7 |
O52 |
O |
O52 |
N |
N |
N |
0 |
0.334 |
3.139 |
-0.614 |
8 |
C53 |
C |
C53 |
S |
N |
N |
0 |
-0.348 |
1.899 |
-0.415 |
9 |
O54 |
O |
O54 |
N |
N |
N |
0 |
0.469 |
1.026 |
0.368 |
10 |
C55 |
C |
C55 |
N |
N |
N |
0 |
-0.635 |
1.251 |
-1.771 |
11 |
C56 |
C |
C56 |
N |
N |
N |
0 |
-1.473 |
-0.012 |
-1.565 |
12 |
C57 |
C |
C57 |
N |
N |
N |
0 |
-1.76 |
-0.66 |
-2.921 |
13 |
C58 |
C |
C58 |
N |
N |
N |
0 |
-2.598 |
-1.924 |
-2.716 |
14 |
C59 |
C |
C59 |
N |
N |
N |
0 |
-2.885 |
-2.572 |
-4.072 |
15 |
C60 |
C |
C60 |
N |
N |
N |
0 |
-3.723 |
-3.835 |
-3.866 |
16 |
C61 |
C |
C61 |
N |
N |
N |
0 |
-4.01 |
-4.483 |
-5.222 |
17 |
C62 |
C |
C62 |
N |
N |
N |
0 |
-4.848 |
-5.746 |
-5.017 |
18 |
C63 |
C |
C63 |
N |
N |
N |
0 |
-5.135 |
-6.394 |
-6.373 |
19 |
C64 |
C |
C64 |
N |
N |
N |
0 |
-5.973 |
-7.658 |
-6.167 |
20 |
C65 |
C |
C65 |
N |
N |
N |
0 |
-6.259 |
-8.306 |
-7.523 |
21 |
C66 |
C |
C66 |
N |
N |
N |
0 |
-7.098 |
-9.569 |
-7.318 |
22 |
C67 |
C |
C67 |
N |
N |
N |
0 |
-7.384 |
-10.217 |
-8.674 |
23 |
C68 |
C |
C68 |
N |
N |
N |
0 |
-8.223 |
-11.48 |
-8.468 |
24 |
C69 |
C |
C69 |
N |
N |
N |
0 |
-8.509 |
-12.129 |
-9.824 |
25 |
C97 |
C |
C97 |
N |
N |
N |
0 |
-0.638 |
4.815 |
0.83 |
26 |
O70 |
O |
O70 |
N |
N |
N |
0 |
-1.812 |
4.037 |
1.074 |
27 |
C71 |
C |
C71 |
S |
N |
N |
0 |
-2.986 |
4.816 |
1.314 |
28 |
O72 |
O |
O72 |
N |
N |
N |
0 |
-2.827 |
5.555 |
2.527 |
29 |
C73 |
C |
C73 |
N |
N |
N |
0 |
-4.196 |
3.889 |
1.437 |
30 |
C74 |
C |
C74 |
N |
N |
N |
0 |
-5.47 |
4.727 |
1.57 |
31 |
C75 |
C |
C75 |
N |
N |
N |
0 |
-6.68 |
3.8 |
1.693 |
32 |
C76 |
C |
C76 |
N |
N |
N |
0 |
-7.953 |
4.638 |
1.826 |
33 |
C77 |
C |
C77 |
N |
N |
N |
0 |
-9.164 |
3.711 |
1.949 |
34 |
C78 |
C |
C78 |
N |
N |
N |
0 |
-10.437 |
4.549 |
2.082 |
35 |
C79 |
C |
C79 |
N |
N |
N |
0 |
-11.648 |
3.622 |
2.205 |
36 |
C80 |
C |
C80 |
N |
N |
N |
0 |
-12.921 |
4.46 |
2.338 |
37 |
C81 |
C |
C81 |
S |
N |
N |
0 |
-14.132 |
3.533 |
2.461 |
38 |
C82 |
C |
C82 |
N |
N |
N |
0 |
-14.034 |
2.736 |
3.763 |
39 |
C83 |
C |
C83 |
N |
N |
N |
0 |
-15.414 |
4.367 |
2.468 |
40 |
C84 |
C |
C84 |
N |
N |
N |
0 |
-16.628 |
3.436 |
2.465 |
41 |
C85 |
C |
C85 |
N |
N |
N |
0 |
-17.911 |
4.27 |
2.473 |
42 |
C86 |
C |
C86 |
N |
N |
N |
0 |
-19.125 |
3.339 |
2.47 |
43 |
C87 |
C |
C87 |
N |
N |
N |
0 |
-20.407 |
4.173 |
2.477 |
44 |
C88 |
C |
C88 |
N |
N |
N |
0 |
-21.621 |
3.242 |
2.475 |
45 |
C89 |
C |
C89 |
N |
N |
N |
0 |
-22.904 |
4.076 |
2.482 |
46 |
C90 |
C |
C90 |
N |
N |
N |
0 |
-24.118 |
3.145 |
2.479 |
47 |
O45 |
O |
O45 |
N |
N |
N |
0 |
5.453 |
3.117 |
-0.047 |
48 |
C44 |
C |
C44 |
S |
N |
N |
0 |
6.841 |
3.267 |
-0.353 |
49 |
C24 |
C |
C24 |
S |
N |
N |
0 |
7.1 |
2.803 |
-1.788 |
50 |
C25 |
C |
C25 |
R |
N |
N |
0 |
8.585 |
2.963 |
-2.115 |
51 |
O26 |
O |
O26 |
N |
N |
N |
0 |
8.827 |
2.529 |
-3.455 |
52 |
C27 |
C |
C27 |
S |
N |
N |
0 |
9.415 |
2.116 |
-1.148 |
53 |
O28 |
O |
O28 |
N |
N |
N |
0 |
10.803 |
2.266 |
-1.454 |
54 |
C29 |
C |
C29 |
R |
N |
N |
0 |
9.156 |
2.58 |
0.287 |
55 |
O30 |
O |
O30 |
N |
N |
N |
0 |
9.527 |
3.954 |
0.417 |
56 |
C31 |
C |
C31 |
R |
N |
N |
0 |
7.67 |
2.42 |
0.614 |
57 |
O32 |
O |
O32 |
N |
N |
N |
0 |
7.428 |
2.854 |
1.954 |
58 |
C33 |
C |
C33 |
S |
N |
N |
0 |
8.363 |
3.826 |
2.428 |
59 |
O34 |
O |
O34 |
N |
N |
N |
0 |
9.647 |
3.218 |
2.581 |
60 |
C35 |
C |
C35 |
S |
N |
N |
0 |
9.664 |
2.111 |
3.484 |
61 |
C36 |
C |
C36 |
N |
N |
N |
0 |
11.077 |
1.525 |
3.546 |
62 |
O37 |
O |
O37 |
N |
N |
N |
0 |
11.422 |
0.979 |
2.272 |
63 |
C38 |
C |
C38 |
R |
N |
N |
0 |
9.247 |
2.585 |
4.879 |
64 |
O39 |
O |
O39 |
N |
N |
N |
0 |
9.208 |
1.469 |
5.771 |
65 |
C40 |
C |
C40 |
S |
N |
N |
0 |
7.857 |
3.224 |
4.797 |
66 |
O41 |
O |
O41 |
N |
N |
N |
0 |
6.904 |
2.244 |
4.381 |
67 |
C42 |
C |
C42 |
S |
N |
N |
0 |
7.893 |
4.369 |
3.78 |
68 |
O43 |
O |
O43 |
N |
N |
N |
0 |
6.584 |
4.926 |
3.643 |
69 |
O23 |
O |
O23 |
N |
N |
N |
0 |
6.325 |
3.593 |
-2.691 |
70 |
C22 |
C |
C22 |
R |
N |
N |
0 |
5.937 |
2.904 |
-3.882 |
71 |
C91 |
C |
C91 |
S |
N |
N |
0 |
5.336 |
3.9 |
-4.876 |
72 |
O92 |
O |
O92 |
N |
N |
N |
0 |
6.324 |
4.865 |
-5.242 |
73 |
C93 |
C |
C93 |
S |
N |
N |
0 |
4.868 |
3.145 |
-6.124 |
74 |
O94 |
O |
O94 |
N |
N |
N |
0 |
5.991 |
2.536 |
-6.763 |
75 |
C95 |
C |
C95 |
S |
N |
N |
0 |
3.867 |
2.063 |
-5.707 |
76 |
O96 |
O |
O96 |
N |
N |
N |
0 |
2.714 |
2.677 |
-5.127 |
77 |
C20 |
C |
C20 |
S |
N |
N |
0 |
4.525 |
1.138 |
-4.681 |
78 |
O21 |
O |
O21 |
N |
N |
N |
0 |
4.964 |
1.908 |
-3.56 |
79 |
C19 |
C |
C19 |
N |
N |
N |
0 |
3.512 |
0.09 |
-4.215 |
80 |
O18 |
O |
O18 |
N |
N |
N |
0 |
4.157 |
-0.843 |
-3.346 |
81 |
C16 |
C |
C16 |
R |
N |
N |
0 |
3.295 |
-1.87 |
-2.851 |
82 |
O17 |
O |
O17 |
N |
N |
N |
0 |
2.947 |
-2.755 |
-3.918 |
83 |
C15 |
C |
C15 |
N |
N |
N |
0 |
4.013 |
-2.654 |
-1.752 |
84 |
C14 |
C |
C14 |
N |
N |
N |
0 |
3.049 |
-3.67 |
-1.137 |
85 |
C13 |
C |
C13 |
N |
N |
N |
0 |
3.767 |
-4.454 |
-0.037 |
86 |
C12 |
C |
C12 |
N |
N |
N |
0 |
2.803 |
-5.47 |
0.578 |
87 |
C11 |
C |
C11 |
N |
N |
N |
0 |
3.522 |
-6.254 |
1.678 |
88 |
C10 |
C |
C10 |
N |
N |
N |
0 |
2.557 |
-7.27 |
2.293 |
89 |
C09 |
C |
C09 |
N |
N |
N |
0 |
3.276 |
-8.054 |
3.393 |
90 |
C08 |
C |
C08 |
N |
N |
N |
0 |
2.311 |
-9.071 |
4.008 |
91 |
C07 |
C |
C07 |
N |
N |
N |
0 |
3.03 |
-9.855 |
5.108 |
92 |
C06 |
C |
C06 |
N |
N |
N |
0 |
2.066 |
-10.871 |
5.723 |
93 |
C05 |
C |
C05 |
N |
N |
N |
0 |
2.784 |
-11.655 |
6.823 |
94 |
C04 |
C |
C04 |
N |
N |
N |
0 |
1.82 |
-12.671 |
7.438 |
95 |
C03 |
C |
C03 |
N |
N |
N |
0 |
2.538 |
-13.455 |
8.538 |
96 |
C02 |
C |
C02 |
N |
N |
N |
0 |
1.574 |
-14.471 |
9.153 |
97 |
C01 |
C |
C01 |
N |
N |
N |
0 |
2.292 |
-15.255 |
10.253 |
98 |
HO48 |
H |
HO48 |
N |
N |
N |
0 |
4.786 |
4.65 |
2.328 |
99 |
H50 |
H |
H50 |
N |
N |
N |
0 |
1.947 |
5.346 |
1.329 |
100 |
H50A |
H |
H50A |
N |
N |
N |
0 |
1.764 |
5.335 |
-0.442 |
101 |
H51 |
H |
H51 |
N |
N |
N |
0 |
0.651 |
3.195 |
1.427 |
102 |
H53 |
H |
H53 |
N |
N |
N |
0 |
-1.288 |
2.081 |
0.106 |
103 |
HO54 |
H |
HO54 |
N |
N |
N |
0 |
1.323 |
0.82 |
-0.036 |
104 |
H55 |
H |
H55 |
N |
N |
N |
0 |
-1.183 |
1.952 |
-2.4 |
105 |
H55A |
H |
H55A |
N |
N |
N |
0 |
0.306 |
0.988 |
-2.254 |
106 |
H56 |
H |
H56 |
N |
N |
N |
0 |
-0.926 |
-0.714 |
-0.936 |
107 |
H56A |
H |
H56A |
N |
N |
N |
0 |
-2.414 |
0.251 |
-1.082 |
108 |
H57 |
H |
H57 |
N |
N |
N |
0 |
-2.307 |
0.041 |
-3.551 |
109 |
H57A |
H |
H57A |
N |
N |
N |
0 |
-0.819 |
-0.924 |
-3.404 |
110 |
H58 |
H |
H58 |
N |
N |
N |
0 |
-2.051 |
-2.625 |
-2.086 |
111 |
H58A |
H |
H58A |
N |
N |
N |
0 |
-3.539 |
-1.66 |
-2.233 |
112 |
H59 |
H |
H59 |
N |
N |
N |
0 |
-3.432 |
-1.87 |
-4.701 |
113 |
H59A |
H |
H59A |
N |
N |
N |
0 |
-1.944 |
-2.835 |
-4.555 |
114 |
H60 |
H |
H60 |
N |
N |
N |
0 |
-3.175 |
-4.536 |
-3.237 |
115 |
H60A |
H |
H60A |
N |
N |
N |
0 |
-4.664 |
-3.572 |
-3.383 |
116 |
H61 |
H |
H61 |
N |
N |
N |
0 |
-4.557 |
-3.782 |
-5.852 |
117 |
H61A |
H |
H61A |
N |
N |
N |
0 |
-3.069 |
-4.746 |
-5.705 |
118 |
H62 |
H |
H62 |
N |
N |
N |
0 |
-4.3 |
-6.448 |
-4.387 |
119 |
H62A |
H |
H62A |
N |
N |
N |
0 |
-5.789 |
-5.483 |
-4.534 |
120 |
H63 |
H |
H63 |
N |
N |
N |
0 |
-5.682 |
-5.693 |
-7.002 |
121 |
H63A |
H |
H63A |
N |
N |
N |
0 |
-4.193 |
-6.658 |
-6.856 |
122 |
H64 |
H |
H64 |
N |
N |
N |
0 |
-5.425 |
-8.359 |
-5.538 |
123 |
H64A |
H |
H64A |
N |
N |
N |
0 |
-6.914 |
-7.394 |
-5.684 |
124 |
H65 |
H |
H65 |
N |
N |
N |
0 |
-6.807 |
-7.605 |
-8.153 |
125 |
H65A |
H |
H65A |
N |
N |
N |
0 |
-5.318 |
-8.569 |
-8.006 |
126 |
H66 |
H |
H66 |
N |
N |
N |
0 |
-6.55 |
-10.27 |
-6.688 |
127 |
H66A |
H |
H66A |
N |
N |
N |
0 |
-8.039 |
-9.306 |
-6.835 |
128 |
H67 |
H |
H67 |
N |
N |
N |
0 |
-7.932 |
-9.516 |
-9.303 |
129 |
H67A |
H |
H67A |
N |
N |
N |
0 |
-6.443 |
-10.481 |
-9.157 |
130 |
H68 |
H |
H68 |
N |
N |
N |
0 |
-7.675 |
-12.182 |
-7.839 |
131 |
H68A |
H |
H68A |
N |
N |
N |
0 |
-9.164 |
-11.217 |
-7.985 |
132 |
H69 |
H |
H69 |
N |
N |
N |
0 |
-9.107 |
-13.028 |
-9.678 |
133 |
H69A |
H |
H69A |
N |
N |
N |
0 |
-9.057 |
-11.427 |
-10.454 |
134 |
H69B |
H |
H69B |
N |
N |
N |
0 |
-7.568 |
-12.392 |
-10.307 |
135 |
H97 |
H |
H97 |
N |
N |
N |
0 |
-0.434 |
5.446 |
1.695 |
136 |
H97A |
H |
H97A |
N |
N |
N |
0 |
-0.794 |
5.442 |
-0.048 |
137 |
H71 |
H |
H71 |
N |
N |
N |
0 |
-3.14 |
5.506 |
0.485 |
138 |
HO72 |
H |
HO72 |
N |
N |
N |
0 |
-2.685 |
5.003 |
3.308 |
139 |
H73 |
H |
H73 |
N |
N |
N |
0 |
-4.266 |
3.261 |
0.548 |
140 |
H73A |
H |
H73A |
N |
N |
N |
0 |
-4.083 |
3.258 |
2.319 |
141 |
H74 |
H |
H74 |
N |
N |
N |
0 |
-5.4 |
5.354 |
2.459 |
142 |
H74A |
H |
H74A |
N |
N |
N |
0 |
-5.583 |
5.358 |
0.688 |
143 |
H75 |
H |
H75 |
N |
N |
N |
0 |
-6.749 |
3.172 |
0.804 |
144 |
H75A |
H |
H75A |
N |
N |
N |
0 |
-6.567 |
3.169 |
2.575 |
145 |
H76 |
H |
H76 |
N |
N |
N |
0 |
-7.884 |
5.265 |
2.714 |
146 |
H76A |
H |
H76A |
N |
N |
N |
0 |
-8.067 |
5.268 |
0.944 |
147 |
H77 |
H |
H77 |
N |
N |
N |
0 |
-9.233 |
3.083 |
1.06 |
148 |
H77A |
H |
H77A |
N |
N |
N |
0 |
-9.051 |
3.08 |
2.831 |
149 |
H78 |
H |
H78 |
N |
N |
N |
0 |
-10.368 |
5.176 |
2.97 |
150 |
H78A |
H |
H78A |
N |
N |
N |
0 |
-10.55 |
5.18 |
1.2 |
151 |
H79 |
H |
H79 |
N |
N |
N |
0 |
-11.717 |
2.994 |
1.316 |
152 |
H79A |
H |
H79A |
N |
N |
N |
0 |
-11.534 |
2.991 |
3.086 |
153 |
H80 |
H |
H80 |
N |
N |
N |
0 |
-12.852 |
5.087 |
3.226 |
154 |
H80A |
H |
H80A |
N |
N |
N |
0 |
-13.034 |
5.091 |
1.456 |
155 |
H81 |
H |
H81 |
N |
N |
N |
0 |
-14.15 |
2.845 |
1.615 |
156 |
H82 |
H |
H82 |
N |
N |
N |
0 |
-14.896 |
2.076 |
3.851 |
157 |
H82A |
H |
H82A |
N |
N |
N |
0 |
-13.12 |
2.142 |
3.758 |
158 |
H82B |
H |
H82B |
N |
N |
N |
0 |
-14.015 |
3.424 |
4.609 |
159 |
H83 |
H |
H83 |
N |
N |
N |
0 |
-15.437 |
4.991 |
3.362 |
160 |
H83A |
H |
H83A |
N |
N |
N |
0 |
-15.44 |
5.001 |
1.582 |
161 |
H84 |
H |
H84 |
N |
N |
N |
0 |
-16.606 |
2.812 |
1.572 |
162 |
H84A |
H |
H84A |
N |
N |
N |
0 |
-16.602 |
2.802 |
3.352 |
163 |
H85 |
H |
H85 |
N |
N |
N |
0 |
-17.933 |
4.894 |
3.366 |
164 |
H85A |
H |
H85A |
N |
N |
N |
0 |
-17.937 |
4.904 |
1.586 |
165 |
H86 |
H |
H86 |
N |
N |
N |
0 |
-19.102 |
2.715 |
1.576 |
166 |
H86A |
H |
H86A |
N |
N |
N |
0 |
-19.098 |
2.705 |
3.356 |
167 |
H87 |
H |
H87 |
N |
N |
N |
0 |
-20.43 |
4.797 |
3.371 |
168 |
H87A |
H |
H87A |
N |
N |
N |
0 |
-20.434 |
4.807 |
1.591 |
169 |
H88 |
H |
H88 |
N |
N |
N |
0 |
-21.599 |
2.618 |
1.581 |
170 |
H88A |
H |
H88A |
N |
N |
N |
0 |
-21.595 |
2.608 |
3.361 |
171 |
H89 |
H |
H89 |
N |
N |
N |
0 |
-22.926 |
4.7 |
3.376 |
172 |
H89A |
H |
H89A |
N |
N |
N |
0 |
-22.93 |
4.71 |
1.596 |
173 |
H90 |
H |
H90 |
N |
N |
N |
0 |
-25.032 |
3.739 |
2.485 |
174 |
H90A |
H |
H90A |
N |
N |
N |
0 |
-24.095 |
2.521 |
1.586 |
175 |
H90B |
H |
H90B |
N |
N |
N |
0 |
-24.092 |
2.511 |
3.366 |
176 |
H44 |
H |
H44 |
N |
N |
N |
0 |
7.124 |
4.315 |
-0.254 |
177 |
H24 |
H |
H24 |
N |
N |
N |
0 |
6.816 |
1.755 |
-1.887 |
178 |
H25 |
H |
H25 |
N |
N |
N |
0 |
8.869 |
4.01 |
-2.016 |
179 |
HO26 |
H |
HO26 |
N |
N |
N |
0 |
9.751 |
2.602 |
-3.732 |
180 |
H27 |
H |
H27 |
N |
N |
N |
0 |
9.132 |
1.068 |
-1.247 |
181 |
HO28 |
H |
HO28 |
N |
N |
N |
0 |
11.39 |
1.756 |
-0.878 |
182 |
H29 |
H |
H29 |
N |
N |
N |
0 |
9.747 |
1.977 |
0.976 |
183 |
HO30 |
H |
HO30 |
N |
N |
N |
0 |
10.458 |
4.13 |
0.224 |
184 |
H31 |
H |
H31 |
N |
N |
N |
0 |
7.387 |
1.372 |
0.515 |
185 |
H33 |
H |
H33 |
N |
N |
N |
0 |
8.431 |
4.644 |
1.712 |
186 |
H35 |
H |
H35 |
N |
N |
N |
0 |
8.969 |
1.347 |
3.137 |
187 |
H36 |
H |
H36 |
N |
N |
N |
0 |
11.785 |
2.311 |
3.808 |
188 |
H36A |
H |
H36A |
N |
N |
N |
0 |
11.111 |
0.739 |
4.3 |
189 |
HO37 |
H |
HO37 |
N |
N |
N |
0 |
12.306 |
0.589 |
2.237 |
190 |
H38 |
H |
H38 |
N |
N |
N |
0 |
9.965 |
3.319 |
5.244 |
191 |
HO39 |
H |
HO39 |
N |
N |
N |
0 |
8.95 |
1.697 |
6.674 |
192 |
H40 |
H |
H40 |
N |
N |
N |
0 |
7.577 |
3.612 |
5.776 |
193 |
HO41 |
H |
HO41 |
N |
N |
N |
0 |
6.0 |
2.58 |
4.308 |
194 |
H42 |
H |
H42 |
N |
N |
N |
0 |
8.583 |
5.139 |
4.123 |
195 |
HO43 |
H |
HO43 |
N |
N |
N |
0 |
6.531 |
5.655 |
3.009 |
196 |
H22 |
H |
H22 |
N |
N |
N |
0 |
6.811 |
2.428 |
-4.327 |
197 |
H91 |
H |
H91 |
N |
N |
N |
0 |
4.486 |
4.406 |
-4.416 |
198 |
HO92 |
H |
HO92 |
N |
N |
N |
0 |
6.668 |
5.378 |
-4.498 |
199 |
HO94 |
H |
HO94 |
N |
N |
N |
0 |
6.67 |
3.163 |
-7.048 |
200 |
H93 |
H |
H93 |
N |
N |
N |
0 |
4.388 |
3.84 |
-6.812 |
201 |
H95 |
H |
H95 |
N |
N |
N |
0 |
3.57 |
1.485 |
-6.582 |
202 |
HO96 |
H |
HO96 |
N |
N |
N |
0 |
2.249 |
3.282 |
-5.721 |
203 |
H20 |
H |
H20 |
N |
N |
N |
0 |
5.38 |
0.639 |
-5.137 |
204 |
H19 |
H |
H19 |
N |
N |
N |
0 |
2.7 |
0.583 |
-3.68 |
205 |
H19A |
H |
H19A |
N |
N |
N |
0 |
3.11 |
-0.437 |
-5.08 |
206 |
H16 |
H |
H16 |
N |
N |
N |
0 |
2.39 |
-1.418 |
-2.444 |
207 |
HO17 |
H |
HO17 |
N |
N |
N |
0 |
3.705 |
-3.193 |
-4.329 |
208 |
H15 |
H |
H15 |
N |
N |
N |
0 |
4.869 |
-3.177 |
-2.178 |
209 |
H15A |
H |
H15A |
N |
N |
N |
0 |
4.357 |
-1.965 |
-0.98 |
210 |
H14 |
H |
H14 |
N |
N |
N |
0 |
2.193 |
-3.146 |
-0.71 |
211 |
H14A |
H |
H14A |
N |
N |
N |
0 |
2.705 |
-4.358 |
-1.908 |
212 |
H13 |
H |
H13 |
N |
N |
N |
0 |
4.623 |
-4.977 |
-0.463 |
213 |
H13A |
H |
H13A |
N |
N |
N |
0 |
4.111 |
-3.765 |
0.735 |
214 |
H12 |
H |
H12 |
N |
N |
N |
0 |
1.947 |
-4.947 |
1.005 |
215 |
H12A |
H |
H12A |
N |
N |
N |
0 |
2.46 |
-6.159 |
-0.194 |
216 |
H11 |
H |
H11 |
N |
N |
N |
0 |
4.377 |
-6.778 |
1.252 |
217 |
H11A |
H |
H11A |
N |
N |
N |
0 |
3.865 |
-5.566 |
2.45 |
218 |
H10 |
H |
H10 |
N |
N |
N |
0 |
1.702 |
-6.747 |
2.72 |
219 |
H10A |
H |
H10A |
N |
N |
N |
0 |
2.214 |
-7.959 |
1.521 |
220 |
H09 |
H |
H09 |
N |
N |
N |
0 |
4.131 |
-8.578 |
2.966 |
221 |
H09A |
H |
H09A |
N |
N |
N |
0 |
3.619 |
-7.366 |
4.165 |
222 |
H08 |
H |
H08 |
N |
N |
N |
0 |
1.456 |
-8.547 |
4.435 |
223 |
H08A |
H |
H08A |
N |
N |
N |
0 |
1.968 |
-9.759 |
3.236 |
224 |
H07 |
H |
H07 |
N |
N |
N |
0 |
3.885 |
-10.378 |
4.681 |
225 |
H07A |
H |
H07A |
N |
N |
N |
0 |
3.373 |
-9.166 |
5.88 |
226 |
H06 |
H |
H06 |
N |
N |
N |
0 |
1.21 |
-10.347 |
6.15 |
227 |
H06A |
H |
H06A |
N |
N |
N |
0 |
1.722 |
-11.559 |
4.951 |
228 |
H05 |
H |
H05 |
N |
N |
N |
0 |
3.64 |
-12.178 |
6.396 |
229 |
H05A |
H |
H05A |
N |
N |
N |
0 |
3.128 |
-10.966 |
7.595 |
230 |
H04 |
H |
H04 |
N |
N |
N |
0 |
0.964 |
-12.148 |
7.865 |
231 |
H04A |
H |
H04A |
N |
N |
N |
0 |
1.476 |
-13.36 |
6.666 |
232 |
H03 |
H |
H03 |
N |
N |
N |
0 |
3.394 |
-13.979 |
8.111 |
233 |
H03A |
H |
H03A |
N |
N |
N |
0 |
2.882 |
-12.767 |
9.31 |
234 |
H02 |
H |
H02 |
N |
N |
N |
0 |
0.718 |
-13.948 |
9.58 |
235 |
H02A |
H |
H02A |
N |
N |
N |
0 |
1.23 |
-15.16 |
8.381 |
236 |
H01 |
H |
H01 |
N |
N |
N |
0 |
1.605 |
-15.979 |
10.691 |
237 |
H01A |
H |
H01A |
N |
N |
N |
0 |
3.148 |
-15.779 |
9.826 |
238 |
H01B |
H |
H01B |
N |
N |
N |
0 |
2.636 |
-14.567 |
11.025 |
Z69 : Chemical Bonds
Total Number of Bonds: 240
Z69 : Used in PDB Entries
Total Number of PDB Entries: 1
Ligand Code |
PDB Entry ID |
Type |
Total |
Distinct |
Z69 |
3mha ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1726132114915) |
Bound ligand
|
1 |
1 |
|