Chemical Components in the PDB

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TEN : Summary

Code

TEN

One-letter code

X

Molecule name

TRIETHYL PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 triethyl phosphate
OpenEye OEToolkits 1.5.0 triethyl phosphate

Formula

C6 H15 O4 P

Formal charge

0

Molecular weight

182.155 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OCC)(OCC)OCC
SMILES CACTVS 3.341 CCO[P](=O)(OCC)OCC
SMILES OpenEye OEToolkits 1.5.0 CCOP(=O)(OCC)OCC
Canonical SMILES CACTVS 3.341 CCO[P](=O)(OCC)OCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCOP(=O)(OCC)OCC

IUPAC InChI

InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3

IUPAC InChI key

DQWPFSLDHJDLRL-UHFFFAOYSA-N
TEN

wwPDB Information

Atom count

26 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-06-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned