Chemical Components in the PDB

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QD7 : Summary

Code

QD7

One-letter code

X

Molecule name

(R)-(3-aminopropyl)methylphosphinic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (R)-(3-aminopropyl)methylphosphinic acid
OpenEye OEToolkits 2.0.7 3-azanylpropyl(methyl)phosphinic acid

Formula

C4 H12 N O2 P

Formal charge

0

Molecular weight

137.117 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(CCP(C)(O)=O)N
SMILES CACTVS 3.385 C[P](O)(=O)CCCN
SMILES OpenEye OEToolkits 2.0.7 CP(=O)(CCCN)O
Canonical SMILES CACTVS 3.385 C[P](O)(=O)CCCN
Canonical SMILES OpenEye OEToolkits 2.0.7 CP(=O)(CCCN)O

IUPAC InChI

InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)

IUPAC InChI key

NHVRIDDXGZPJTJ-UHFFFAOYSA-N
QD7

wwPDB Information

Atom count

20 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-16

Last modified at

2020-06-05

Status

Released

Obsoleted

Not Assigned