Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PHL : Summary

Code

PHL

One-letter code

F

Molecule name

L-PHENYLALANINOL

Synonyms

bound form of Phenylalaninal

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-3-phenylpropan-1-ol
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-phenyl-propan-1-ol

Formula

C9 H13 N O

Formal charge

0

Molecular weight

151.206 Da

SMILES

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

IUPAC InChI

InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1

IUPAC InChI key

STVVMTBJNDTZBF-VIFPVBQESA-N

Is part of

S89
PHL

wwPDB Information

Atom count

24 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PHE

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned