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UFT : Summary
Code ![](/pdbe/static/images/help.png)
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UFT
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One-letter code ![](/pdbe/static/images/help.png)
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U
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Molecule name ![](/pdbe/static/images/help.png)
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2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C9 H12 F N2 O8 P
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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326.172 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O |
SMILES
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CACTVS |
3.341 |
O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F |
Canonical SMILES
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CACTVS |
3.341 |
O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | RTGGYPQTXNSBPD-XVFCMESISA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (21 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Deoxy ribonucleotide
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Type description ![](/pdbe/static/images/help.png)
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DNA LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMN
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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DU
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Defined at ![](/pdbe/static/images/help.png)
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2008-07-07
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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UFT : Atoms of Molecule
Total Number of Atoms: 33
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
OP3 |
O |
OP3 |
N |
N |
Y |
0 |
4.622 |
-2.05 |
-1.261 |
2 |
P |
P |
P |
N |
N |
N |
0 |
4.266 |
-1.014 |
-0.082 |
3 |
OP1 |
O |
OP1 |
N |
N |
N |
0 |
4.116 |
-1.75 |
1.194 |
4 |
OP2 |
O |
OP2 |
N |
N |
N |
0 |
5.45 |
0.068 |
0.058 |
5 |
O5' |
O |
O5' |
N |
N |
N |
0 |
2.888 |
-0.258 |
-0.43 |
6 |
N1 |
N |
N1 |
N |
N |
N |
0 |
-2.364 |
-0.139 |
-0.132 |
7 |
C6 |
C |
C6 |
N |
N |
N |
0 |
-2.32 |
-0.86 |
1.031 |
8 |
C2 |
C |
C2 |
N |
N |
N |
0 |
-3.401 |
-0.269 |
-0.979 |
9 |
O2 |
O |
O2 |
N |
N |
N |
0 |
-3.422 |
0.385 |
-2.004 |
10 |
N3 |
N |
N3 |
N |
N |
N |
0 |
-4.415 |
-1.112 |
-0.709 |
11 |
C4 |
C |
C4 |
N |
N |
N |
0 |
-4.406 |
-1.843 |
0.424 |
12 |
O4 |
O |
O4 |
N |
N |
N |
0 |
-5.323 |
-2.606 |
0.67 |
13 |
C5 |
C |
C5 |
N |
N |
N |
0 |
-3.326 |
-1.709 |
1.33 |
14 |
F2' |
F |
F2' |
N |
N |
N |
0 |
-1.867 |
3.074 |
0.073 |
15 |
C2' |
C |
C2' |
R |
N |
N |
0 |
-1.226 |
1.937 |
0.577 |
16 |
C5' |
C |
C5' |
N |
N |
N |
0 |
2.249 |
0.65 |
0.47 |
17 |
C4' |
C |
C4' |
R |
N |
N |
0 |
0.967 |
1.186 |
-0.17 |
18 |
O4' |
O |
O4' |
N |
N |
N |
0 |
0.001 |
0.124 |
-0.328 |
19 |
C1' |
C |
C1' |
R |
N |
N |
0 |
-1.276 |
0.787 |
-0.453 |
20 |
C3' |
C |
C3' |
R |
N |
N |
0 |
0.283 |
2.206 |
0.767 |
21 |
O3' |
O |
O3' |
N |
N |
N |
0 |
0.607 |
3.542 |
0.376 |
22 |
HOP3 |
H |
HOP3 |
N |
N |
Y |
0 |
5.442 |
-2.543 |
-1.118 |
23 |
HOP2 |
H |
HOP2 |
N |
N |
N |
0 |
5.605 |
0.588 |
-0.742 |
24 |
H6 |
H |
H6 |
N |
N |
N |
0 |
-1.484 |
-0.75 |
1.706 |
25 |
H5 |
H |
H5 |
N |
N |
N |
0 |
-3.304 |
-2.284 |
2.243 |
26 |
H2' |
H |
H2' |
N |
N |
N |
0 |
-1.683 |
1.628 |
1.517 |
27 |
H5' |
H |
H5' |
N |
N |
N |
0 |
2.002 |
0.13 |
1.396 |
28 |
H5'A |
H |
H5'A |
N |
N |
N |
0 |
2.922 |
1.48 |
0.688 |
29 |
H4' |
H |
H4' |
N |
N |
N |
0 |
1.189 |
1.644 |
-1.134 |
30 |
H1' |
H |
H1' |
N |
N |
N |
0 |
-1.402 |
1.185 |
-1.46 |
31 |
H3' |
H |
H3' |
N |
N |
N |
0 |
0.575 |
2.029 |
1.802 |
32 |
HO3' |
H |
HO3' |
N |
N |
Y |
0 |
0.157 |
4.223 |
0.894 |
33 |
HN3 |
H |
HN3 |
N |
N |
N |
0 |
-5.155 |
-1.193 |
-1.331 |
UFT : Chemical Bonds
Total Number of Bonds: 34
UFT : Used in PDB Entries
Total Number of PDB Entries: 17
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