![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
5CF : Summary
Code ![](/pdbe/static/images/help.png)
|
5CF
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
5-fluorocytidine 5'-(dihydrogen phosphate)
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C9 H13 F N3 O8 P
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
341.187 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
11.02 |
O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)C(O)C2O |
SMILES
|
CACTVS |
3.352 |
NC1=NC(=O)N(C=C1F)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)F |
Canonical SMILES
|
CACTVS |
3.352 |
NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H13FN3O8P/c10-3-1-13(9(16)12-7(3)11)8-6(15)5(14)4(21-8)2-20-22(17,18)19/h1,4-6,8,14-15H,2H2,(H2,11,12,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VLZKLBLFWAHHJM-UAKXSSHOSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
35 (22 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Ribonucleotide
|
Type description ![](/pdbe/static/images/help.png)
|
RNA LINKING
|
Type code ![](/pdbe/static/images/help.png)
|
ATOMN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2009-10-05
|
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
|
|
|
5CF : Atoms of Molecule
Total Number of Atoms: 35
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 |
-4.85 |
1.915 |
-1.416 |
2 |
P |
P |
P |
N |
N |
N |
0 |
-4.335 |
1.068 |
-0.148 |
3 |
N1 |
N |
N1 |
N |
N |
N |
0 |
2.135 |
-0.149 |
-0.239 |
4 |
C2 |
C |
C2 |
N |
N |
N |
0 |
2.005 |
0.724 |
0.776 |
5 |
O2 |
O |
O2 |
N |
N |
N |
0 |
0.985 |
0.717 |
1.446 |
6 |
N3 |
N |
N3 |
N |
N |
N |
0 |
2.97 |
1.596 |
1.062 |
7 |
C4 |
C |
C4 |
N |
N |
N |
0 |
4.089 |
1.626 |
0.351 |
8 |
N4 |
N |
N4 |
N |
N |
N |
0 |
5.08 |
2.531 |
0.658 |
9 |
C5 |
C |
C5 |
N |
N |
N |
0 |
4.259 |
0.724 |
-0.721 |
10 |
F5 |
F |
F5 |
N |
N |
N |
0 |
5.392 |
0.738 |
-1.457 |
11 |
C6 |
C |
C6 |
N |
N |
N |
0 |
3.268 |
-0.157 |
-1.0 |
12 |
C1' |
C |
C1' |
R |
N |
N |
0 |
1.059 |
-1.1 |
-0.525 |
13 |
C2' |
C |
C2' |
R |
N |
N |
0 |
0.844 |
-2.059 |
0.674 |
14 |
O2' |
O |
O2' |
N |
N |
N |
0 |
1.724 |
-3.182 |
0.593 |
15 |
C3' |
C |
C3' |
S |
N |
N |
0 |
-0.629 |
-2.495 |
0.48 |
16 |
O3' |
O |
O3' |
N |
N |
N |
0 |
-0.693 |
-3.762 |
-0.178 |
17 |
C4' |
C |
C4' |
R |
N |
N |
0 |
-1.236 |
-1.393 |
-0.409 |
18 |
O4' |
O |
O4' |
N |
N |
N |
0 |
-0.207 |
-0.415 |
-0.644 |
19 |
C5' |
C |
C5' |
N |
N |
N |
0 |
-2.422 |
-0.742 |
0.305 |
20 |
O5' |
O |
O5' |
N |
N |
N |
0 |
-3.049 |
0.196 |
-0.572 |
21 |
OP1 |
O |
OP1 |
N |
N |
N |
0 |
-3.932 |
2.075 |
1.042 |
22 |
OP2 |
O |
OP2 |
N |
N |
N |
0 |
-5.413 |
0.165 |
0.314 |
23 |
HOP3 |
H |
HOP3 |
N |
N |
Y |
0 |
-5.625 |
2.465 |
-1.234 |
24 |
HN4 |
H |
HN4 |
N |
N |
N |
0 |
4.96 |
3.15 |
1.395 |
25 |
HN4A |
H |
HN4A |
N |
N |
N |
0 |
5.897 |
2.551 |
0.136 |
26 |
H6 |
H |
H6 |
N |
N |
N |
0 |
3.374 |
-0.858 |
-1.814 |
27 |
H1' |
H |
H1' |
N |
N |
N |
0 |
1.277 |
-1.664 |
-1.433 |
28 |
H2' |
H |
H2' |
N |
N |
N |
0 |
0.973 |
-1.533 |
1.62 |
29 |
HO2' |
H |
HO2' |
N |
N |
N |
0 |
1.627 |
-3.811 |
1.321 |
30 |
H3' |
H |
H3' |
N |
N |
N |
0 |
-1.143 |
-2.537 |
1.44 |
31 |
HO3' |
H |
HO3' |
N |
N |
N |
0 |
-0.273 |
-4.482 |
0.312 |
32 |
H4' |
H |
H4' |
N |
N |
N |
0 |
-1.561 |
-1.82 |
-1.358 |
33 |
H5' |
H |
H5' |
N |
N |
N |
0 |
-3.141 |
-1.51 |
0.59 |
34 |
H5'A |
H |
H5'A |
N |
N |
N |
0 |
-2.069 |
-0.225 |
1.198 |
35 |
HOP1 |
H |
HOP1 |
N |
N |
N |
0 |
-3.229 |
2.697 |
0.809 |
5CF : Chemical Bonds
Total Number of Bonds: 36
5CF : Used in PDB Entries
Total Number of PDB Entries: 2
Ligand Code |
PDB Entry ID |
Type |
Total |
Distinct |
5CF |
3jxq ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724397345115) |
Polymer component
|
4 |
1 |
5CF |
3jxr ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724397345115) |
Polymer component
|
3 |
1 |
|