Chemical Components in the PDB

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DH7 : Summary

Code

DH7

One-letter code

X

Molecule name

(6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene

Systematic names

ProgramVersionName
ACDLabs 12.01 (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene
OpenEye OEToolkits 1.7.0 (6E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene

Formula

C30 H46

Formal charge

0

Molecular weight

406.686 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=C(\C)CC\C=C(/C)CC\C=C(/C)C)=C\C=C=C(/C)CC/C=C(\C)CC\C=C(/C)C
SMILES CACTVS 3.370 CC(C)=CCCC(C)=CCC[C](C)=[C]=[CH][CH]=[C]=[C](C)CCC=C(C)CCC=C(C)C
SMILES OpenEye OEToolkits 1.7.0 CC(=CCCC(=CCCC(=C=CC=C=C(C)CCC=C(C)CCC=C(C)C)C)C)C
Canonical SMILES CACTVS 3.370 CC(C)=CCCC(/C)=C/CC[C](C)=[C@@]=[CH][CH]=[C@]=[C](C)CC\C=C(/C)CCC=C(C)C
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(=CCC/C(=C/CCC(=C=CC=C=C(CC/C=C(/CCC=C(C)C)\C)C)C)/C)C

IUPAC InChI

InChI=1S/C30H46/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-16,23-24H,11-14,19-22H2,1-8H3/b29-23+,30-24+

IUPAC InChI key

PALVLARMLPXARO-HCTXVGCHSA-N
DH7

wwPDB Information

Atom count

76 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-07-07

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned