Chemical Components in the PDB

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PM3 : Summary

Code

PM3

One-letter code

F

Molecule name

2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(phosphonomethyl)-L-phenylalanine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-[4-(phosphonomethyl)phenyl]propanoic acid

Formula

C10 H14 N O5 P

Formal charge

0

Molecular weight

259.196 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O
SMILES CACTVS 3.341 N[CH](Cc1ccc(C[P](O)(O)=O)cc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1CC(C(=O)O)N)CP(=O)(O)O
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1ccc(C[P](O)(O)=O)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C[C@@H](C(=O)O)N)CP(=O)(O)O

IUPAC InChI

InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1

IUPAC InChI key

SAQLLHDEEMZENJ-VIFPVBQESA-N
PM3

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PHE

Defined at

2006-05-03

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned