Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

TZZ : Summary

Code

TZZ

One-letter code

X

Molecule name

TRIMETHYL PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 trimethyl phosphate
OpenEye OEToolkits 1.5.0 trimethyl phosphate

Formula

C3 H9 O4 P

Formal charge

0

Molecular weight

140.075 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OC)(OC)OC
SMILES CACTVS 3.341 CO[P](=O)(OC)OC
SMILES OpenEye OEToolkits 1.5.0 COP(=O)(OC)OC
Canonical SMILES CACTVS 3.341 CO[P](=O)(OC)OC
Canonical SMILES OpenEye OEToolkits 1.5.0 COP(=O)(OC)OC

IUPAC InChI

InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3

IUPAC InChI key

WVLBCYQITXONBZ-UHFFFAOYSA-N
TZZ

wwPDB Information

Atom count

17 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned