Chemical Components in the PDB

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OXL : Summary

Code

OXL

One-letter code

X

Molecule name

OXALATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 ethanedioate
OpenEye OEToolkits 1.5.0 ethanedioate

Formula

C2 O4

Formal charge

-2

Molecular weight

88.019 Da

SMILES

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

IUPAC InChI

InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2

IUPAC InChI key

MUBZPKHOEPUJKR-UHFFFAOYSA-L
OXL

wwPDB Information

Atom count

6 (6 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