Chemical Components in the PDB

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16A : Summary

Code

16A

One-letter code

X

Molecule name

CETYL-TRIMETHYL-AMMONIUM

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N,N-trimethylhexadecan-1-aminium
OpenEye OEToolkits 1.5.0 hexadecyl-trimethyl-azanium

Formula

C19 H42 N

Formal charge

1

Molecular weight

284.543 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C(CCCC[N+](C)(C)C)CCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCCCCC[N+](C)(C)C
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCC[N+](C)(C)C
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCCC[N+](C)(C)C
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCC[N+](C)(C)C

IUPAC InChI

InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1

IUPAC InChI key

RLGQACBPNDBWTB-UHFFFAOYSA-N
16A

wwPDB Information

Atom count

62 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-01-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned