Chemical Components in the PDB

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DCX : Summary

Code

DCX

One-letter code

X

Molecule name

DECYL(DIMETHYL)PHOSPHINE OXIDE

Synonyms

DIMETHYLDECYLPHOSPHINE OXIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 decyl(dimethyl)phosphane oxide
OpenEye OEToolkits 1.5.0 1-dimethylphosphoryldecane

Formula

C12 H27 O P

Formal charge

0

Molecular weight

218.316 Da

SMILES

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

IUPAC InChI

InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3

IUPAC InChI key

GSVLCKASFMVUSW-UHFFFAOYSA-N
DCX

wwPDB Information

Atom count

41 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-07-25

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned