Chemical Components in the PDB

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C1O : Summary

Code

C1O

One-letter code

X

Molecule name

CU-O LINKAGE

Systematic names

ProgramVersionName
ACDLabs 10.04 oxocopper
OpenEye OEToolkits 1.5.0 oxocopper

Formula

Cu O

Formal charge

0

Molecular weight

79.545 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [Cu]=O
SMILES CACTVS 3.341 O=[Cu]
SMILES OpenEye OEToolkits 1.5.0 O=[Cu]
Canonical SMILES CACTVS 3.341 O=[Cu]
Canonical SMILES OpenEye OEToolkits 1.5.0 O=[Cu]

IUPAC InChI

InChI=1S/Cu.O

IUPAC InChI key

QPLDLSVMHZLSFG-UHFFFAOYSA-N
C1O

wwPDB Information

Atom count

2 (2 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned