Chemical Components in the PDB

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TEA : Summary

Code

TEA

One-letter code

X

Molecule name

TRIETHYLAMMONIUM ION

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N-diethylethanaminium
OpenEye OEToolkits 1.5.0 triethylazanium

Formula

C6 H16 N

Formal charge

1

Molecular weight

102.198 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 CC[NH+](CC)CC
SMILES CACTVS 3.341 CC[NH+](CC)CC
SMILES OpenEye OEToolkits 1.5.0 CC[NH+](CC)CC
Canonical SMILES CACTVS 3.341 CC[NH+](CC)CC
Canonical SMILES OpenEye OEToolkits 1.5.0 CC[NH+](CC)CC

IUPAC InChI

InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3/p+1

IUPAC InChI key

ZMANZCXQSJIPKH-UHFFFAOYSA-O
TEA

wwPDB Information

Atom count

23 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned