Chemical Components in the PDB

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D10 : Summary

Code

D10

One-letter code

X

Molecule name

DECANE

Systematic names

ProgramVersionName
ACDLabs 10.04 decane
OpenEye OEToolkits 1.5.0 decane

Formula

C10 H22

Formal charge

0

Molecular weight

142.282 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 C(CCCCCCCC)C
SMILES CACTVS 3.341 CCCCCCCCCC
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCC
Canonical SMILES CACTVS 3.341 CCCCCCCCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCC

IUPAC InChI

InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3

IUPAC InChI key

DIOQZVSQGTUSAI-UHFFFAOYSA-N
D10

wwPDB Information

Atom count

32 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-11-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned