Chemical Components in the PDB

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OXD : Summary

Code

OXD

One-letter code

X

Molecule name

OXALIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 ethanedioic acid
OpenEye OEToolkits 1.5.0 ethanedioic acid

Formula

C2 H2 O4

Formal charge

0

Molecular weight

90.035 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(=O)O
SMILES CACTVS 3.341 OC(=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(=O)(C(=O)O)O
Canonical SMILES CACTVS 3.341 OC(=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)

IUPAC InChI key

MUBZPKHOEPUJKR-UHFFFAOYSA-N
OXD

wwPDB Information

Atom count

8 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-06-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned