Chemical Components in the PDB

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SCK : Summary

Code

SCK

One-letter code

X

Molecule name

2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM)

Synonyms

SUCCINYLDICHOLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium)
OpenEye OEToolkits 1.5.0 trimethyl-[2-[4-oxo-4-(2-trimethylazaniumylethoxy)butanoyl]oxyethyl]azanium

Formula

C14 H30 N2 O4

Formal charge

2

Molecular weight

290.399 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C
SMILES CACTVS 3.341 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
SMILES OpenEye OEToolkits 1.5.0 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
Canonical SMILES CACTVS 3.341 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
Canonical SMILES OpenEye OEToolkits 1.5.0 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C

IUPAC InChI

InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2

IUPAC InChI key

AXOIZCJOOAYSMI-UHFFFAOYSA-N
SCK

wwPDB Information

Atom count

50 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-06-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned