![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
5HU : Summary
Code ![](/pdbe/static/images/help.png)
|
5HU
|
One-letter code ![](/pdbe/static/images/help.png)
|
U
|
Molecule name ![](/pdbe/static/images/help.png)
|
5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C10 H15 N2 O9 P
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
338.208 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C1NC(=O)N(C=C1CO)C2OC(C(O)C2)COP(=O)(O)O |
SMILES
|
CACTVS |
3.341 |
OCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1C(C(OC1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O |
Canonical SMILES
|
CACTVS |
3.341 |
OCC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WEBVWKFGRVLCNS-XLPZGREQSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
37 (22 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Deoxy ribonucleotide
|
Type description ![](/pdbe/static/images/help.png)
|
DNA LINKING
|
Type code ![](/pdbe/static/images/help.png)
|
ATOMN
|
Is modified ![](/pdbe/static/images/help.png)
|
Yes
|
Standard parent ![](/pdbe/static/images/help.png)
|
DU
|
Defined at ![](/pdbe/static/images/help.png)
|
2002-09-26
|
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
|
|
|
5HU : Atoms of Molecule
Total Number of Atoms: 37
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
P |
P |
P |
N |
N |
N |
0 |
-4.427 |
1.005 |
-0.232 |
2 |
OP1 |
O |
O1P |
N |
N |
N |
0 |
-3.996 |
1.758 |
0.967 |
3 |
OP2 |
O |
O2P |
N |
N |
N |
0 |
-5.062 |
2.024 |
-1.306 |
4 |
OP3 |
O |
O3P |
N |
N |
Y |
0 |
-5.53 |
-0.089 |
0.188 |
5 |
O5' |
O |
O5* |
N |
N |
N |
0 |
-3.156 |
0.262 |
-0.884 |
6 |
C5' |
C |
C5* |
N |
N |
N |
0 |
-2.568 |
-0.533 |
0.147 |
7 |
C4' |
C |
C4* |
R |
N |
N |
0 |
-1.348 |
-1.27 |
-0.409 |
8 |
O4' |
O |
O4* |
N |
N |
N |
0 |
-0.264 |
-0.348 |
-0.662 |
9 |
C3' |
C |
C3* |
S |
N |
N |
0 |
-0.764 |
-2.237 |
0.651 |
10 |
O3' |
O |
O3* |
N |
N |
N |
0 |
-1.428 |
-3.502 |
0.61 |
11 |
C2' |
C |
C2* |
N |
N |
N |
0 |
0.708 |
-2.371 |
0.193 |
12 |
C1' |
C |
C1* |
R |
N |
N |
0 |
0.947 |
-1.123 |
-0.679 |
13 |
N1 |
N |
N1 |
N |
N |
N |
0 |
2.051 |
-0.334 |
-0.128 |
14 |
C2 |
C |
C2 |
N |
N |
N |
0 |
1.923 |
0.237 |
1.083 |
15 |
O2 |
O |
O2 |
N |
N |
N |
0 |
0.89 |
0.09 |
1.708 |
16 |
N3 |
N |
N3 |
N |
N |
N |
0 |
2.922 |
0.966 |
1.614 |
17 |
C4 |
C |
C4 |
N |
N |
N |
0 |
4.075 |
1.134 |
0.936 |
18 |
O4 |
O |
O4 |
N |
N |
N |
0 |
4.979 |
1.794 |
1.415 |
19 |
C5 |
C |
C5 |
N |
N |
N |
0 |
4.222 |
0.543 |
-0.342 |
20 |
C5A |
C |
C5A |
N |
N |
N |
0 |
5.499 |
0.718 |
-1.123 |
21 |
C6 |
C |
C6 |
N |
N |
N |
0 |
3.204 |
-0.184 |
-0.851 |
22 |
O5B |
O |
O5B |
N |
N |
N |
0 |
5.395 |
0.024 |
-2.368 |
23 |
HO2P |
H |
HO2P |
N |
N |
N |
0 |
-5.818 |
2.446 |
-0.876 |
24 |
HO3P |
H |
HO3P |
N |
N |
N |
0 |
-5.783 |
-0.555 |
-0.62 |
25 |
H5' |
H |
1H5* |
N |
N |
N |
0 |
-3.298 |
-1.258 |
0.507 |
26 |
H5'' |
H |
2H5* |
N |
N |
N |
0 |
-2.26 |
0.11 |
0.971 |
27 |
HC4' |
H |
HC4* |
N |
N |
N |
0 |
-1.61 |
-1.811 |
-1.319 |
28 |
HC3' |
H |
HC3* |
N |
N |
N |
0 |
-0.823 |
-1.802 |
1.649 |
29 |
HO3' |
H |
HO3* |
N |
N |
Y |
0 |
-0.96 |
-4.084 |
1.224 |
30 |
H2' |
H |
1H2* |
N |
N |
N |
0 |
0.844 |
-3.279 |
-0.395 |
31 |
H2'' |
H |
2H2* |
N |
N |
N |
0 |
1.378 |
-2.369 |
1.053 |
32 |
HC1' |
H |
HC1* |
N |
N |
N |
0 |
1.18 |
-1.424 |
-1.701 |
33 |
HN3 |
H |
HN3 |
N |
N |
N |
0 |
2.813 |
1.371 |
2.489 |
34 |
H5A1 |
H |
1H5A |
N |
N |
N |
0 |
6.333 |
0.314 |
-0.55 |
35 |
H5A2 |
H |
2H5A |
N |
N |
N |
0 |
5.667 |
1.779 |
-1.311 |
36 |
HC6 |
H |
HC6 |
N |
N |
N |
0 |
3.299 |
-0.645 |
-1.822 |
37 |
HO5B |
H |
HO5B |
N |
N |
N |
0 |
6.231 |
0.162 |
-2.835 |
5HU : Chemical Bonds
Total Number of Bonds: 38
5HU : Used in PDB Entries
Total Number of PDB Entries: 9
|