Chemical Components in the PDB

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ARC : Summary

Code

ARC

One-letter code

X

Molecule name

3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL

Systematic names

ProgramVersionName
ACDLabs 10.04 (3S,7S,11S)-3,7,11,15-tetramethylhexadecan-1-ol
OpenEye OEToolkits 1.5.0 (3S,7S,11S)-3,7,11,15-tetramethylhexadecan-1-ol

Formula

C20 H42 O

Formal charge

0

Molecular weight

298.547 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCC(CCCC(CCCC(C)CCCC(C)C)C)C
SMILES CACTVS 3.341 CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO
SMILES OpenEye OEToolkits 1.5.0 CC(C)CCCC(C)CCCC(C)CCCC(C)CCO
Canonical SMILES CACTVS 3.341 CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO

IUPAC InChI

InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3/t18-,19-,20-/m0/s1

IUPAC InChI key

AJAKLDUGVSKVDG-UFYCRDLUSA-N
ARC

wwPDB Information

Atom count

63 (21 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