Chemical Components in the PDB

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PHE : Summary

Code

PHE

One-letter code

F

Molecule name

PHENYLALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-phenylalanine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-phenyl-propanoic acid

Formula

C9 H11 N O2

Formal charge

0

Molecular weight

165.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)Cc1ccccc1
SMILES CACTVS 3.341 N[CH](Cc1ccccc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1ccccc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

IUPAC InChI key

COLNVLDHVKWLRT-QMMMGPOBSA-N

Is part of

R9B , 2ZS , 0EK , 1Z1 , I0Y , 0Z0 , 0Z3 , 3FO , 7P0
PHE

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned