Chemical Components in the PDB

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RTK : Summary

Code

RTK

One-letter code

X

Molecule name

trimethyl(3-oxidanylphosphonoylpropyl)azanium

Systematic names

ProgramVersionName
ACDLabs 12.01 3-[(R)-hydroxy(oxido)-lambda~5~-phosphanyl]-N,N,N-trimethylpropan-1-aminium
OpenEye OEToolkits 1.9.2 trimethyl(3-oxidanylphosphonoylpropyl)azanium

Formula

C6 H17 N O2 P

Formal charge

1

Molecular weight

166.178 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)CCC[N+](C)(C)C
SMILES CACTVS 3.385 C[N+](C)(C)CCC[PH](O)=O
SMILES OpenEye OEToolkits 1.9.2 C[N+](C)(C)CCCP(=O)O
Canonical SMILES CACTVS 3.385 C[N+](C)(C)CCC[PH](O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 C[N+](C)(C)CCCP(=O)O

IUPAC InChI

InChI=1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3/p+1

IUPAC InChI key

WOSBPQBJRYGKCZ-UHFFFAOYSA-O
RTK

wwPDB Information

Atom count

27 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-27

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned