![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
PFF : Summary
Code ![](/pdbe/static/images/help.png)
|
PFF
|
One-letter code ![](/pdbe/static/images/help.png)
|
F
|
Molecule name ![](/pdbe/static/images/help.png)
|
4-FLUORO-L-PHENYLALANINE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C9 H10 F N O2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
183.18 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
Fc1ccc(cc1)CC(C(=O)O)N |
SMILES
|
CACTVS |
3.341 |
N[CH](Cc1ccc(F)cc1)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1CC(C(=O)O)N)F |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](Cc1ccc(F)cc1)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C[C@@H](C(=O)O)N)F |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XWHHYOYVRVGJJY-QMMMGPOBSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
23 (13 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Amino Acid
|
Type description ![](/pdbe/static/images/help.png)
|
L-PEPTIDE LINKING
|
Type code ![](/pdbe/static/images/help.png)
|
ATOMP
|
Is modified ![](/pdbe/static/images/help.png)
|
Yes
|
Standard parent ![](/pdbe/static/images/help.png)
|
PHE
|
Defined at ![](/pdbe/static/images/help.png)
|
2003-07-30
|
Last modified at ![](/pdbe/static/images/help.png)
|
2023-11-03
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|