Chemical Components in the PDB

pdbe.org/chem
spacer

ACT : Summary

Code

ACT

One-letter code

X

Molecule name

ACETATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 acetate
OpenEye OEToolkits 1.5.0 ethanoate

Formula

C2 H3 O2

Formal charge

-1

Molecular weight

59.044 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-]C(=O)C
SMILES CACTVS 3.341 CC([O-])=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)[O-]
Canonical SMILES CACTVS 3.341 CC([O-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)[O-]

IUPAC InChI

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

IUPAC InChI key

QTBSBXVTEAMEQO-UHFFFAOYSA-M
ACT

wwPDB Information

Atom count

7 (4 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