Chemical Components in the PDB

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ELX : Summary

Code

ELX

One-letter code

X

Molecule name

(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

Formula

C20 H34 O

Formal charge

0

Molecular weight

290.483 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
SMILES OpenEye OEToolkits 2.0.7 CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C
Canonical SMILES CACTVS 3.385 CC(C)=CCCC(/C)=C/CC\C(C)=C\CC\C(C)=C\CO
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C

IUPAC InChI

InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+

IUPAC InChI key

OJISWRZIEWCUBN-QIRCYJPOSA-N
ELX

wwPDB Information

Atom count

55 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-01-15

Last modified at

2020-11-13

Status

Released

Obsoleted

Not Assigned