Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PGL : Summary

Code

PGL

One-letter code

X

Molecule name

(aminomethyl)phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (aminomethyl)phosphonic acid
OpenEye OEToolkits 1.7.0 aminomethylphosphonic acid

Formula

C H6 N O3 P

Formal charge

0

Molecular weight

111.037 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)CN
SMILES CACTVS 3.370 NC[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(N)P(=O)(O)O
Canonical SMILES CACTVS 3.370 NC[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(N)P(=O)(O)O

IUPAC InChI

InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)

IUPAC InChI key

MGRVRXRGTBOSHW-UHFFFAOYSA-N

Is part of

UB2 , UBY , UBZ , UB3 , X32 , UBU , UBX , UBW , UBS , UBT , UBV
PGL

wwPDB Information

Atom count

12 (6 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide-like

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned