Chemical Components in the PDB

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TEG : Summary

Code

TEG

One-letter code

X

Molecule name

[2-(2-hydroxyethoxy)ethoxy]acetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [2-(2-hydroxyethoxy)ethoxy]acetic acid
OpenEye OEToolkits 1.9.2 2-[2-(2-hydroxyethyloxy)ethoxy]ethanoic acid

Formula

C6 H12 O5

Formal charge

0

Molecular weight

164.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(O)COCCOCCO
SMILES CACTVS 3.385 OCCOCCOCC(O)=O
SMILES OpenEye OEToolkits 1.9.2 C(COCCOCC(=O)O)O
Canonical SMILES CACTVS 3.385 OCCOCCOCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 C(COCCOCC(=O)O)O

IUPAC InChI

InChI=1S/C6H12O5/c7-1-2-10-3-4-11-5-6(8)9/h7H,1-5H2,(H,8,9)

IUPAC InChI key

PRBXPAHXMGDVNQ-UHFFFAOYSA-N
TEG

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-08-25

Last modified at

2015-10-23

Status

Released

Obsoleted

Not Assigned