Chemical Components in the PDB

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P7I : Summary

Code

P7I

One-letter code

X

Molecule name

(2-aminoethyl)phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2-aminoethyl)phosphonic acid
OpenEye OEToolkits 1.7.0 2-azanylethylphosphonic acid

Formula

C2 H8 N O3 P

Formal charge

0

Molecular weight

125.064 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)CCN
SMILES CACTVS 3.370 NCC[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(CP(=O)(O)O)N
Canonical SMILES CACTVS 3.370 NCC[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(CP(=O)(O)O)N

IUPAC InChI

InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)

IUPAC InChI key

QQVDJLLNRSOCEL-UHFFFAOYSA-N
P7I

wwPDB Information

Atom count

15 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-10-20

Last modified at

2011-10-07

Status

Released

Obsoleted

Not Assigned