Chemical Components in the PDB

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LDA : Summary

Code

LDA

One-letter code

X

Molecule name

LAURYL DIMETHYLAMINE-N-OXIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 dodecyl(dimethyl)amine oxide
OpenEye OEToolkits 1.5.0 N,N-dimethyldodecan-1-amine oxide

Formula

C14 H31 N O

Formal charge

0

Molecular weight

229.402 Da

SMILES

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

IUPAC InChI

InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3

IUPAC InChI key

SYELZBGXAIXKHU-UHFFFAOYSA-N
LDA

wwPDB Information

Atom count

47 (16 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