Chemical Components in the PDB

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5HD : Summary

Code

5HD

One-letter code

X

Molecule name

5-(2-hydroxyethyl)nonane-1,9-diol

Systematic names

ProgramVersionName
ACDLabs 10.04 5-(2-hydroxyethyl)nonane-1,9-diol
OpenEye OEToolkits 1.5.0 5-(2-hydroxyethyl)nonane-1,9-diol

Formula

C11 H24 O3

Formal charge

0

Molecular weight

204.306 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCCCC(CCO)CCCCO
SMILES CACTVS 3.341 OCCCCC(CCO)CCCCO
SMILES OpenEye OEToolkits 1.5.0 C(CCO)CC(CCCCO)CCO
Canonical SMILES CACTVS 3.341 OCCCCC(CCO)CCCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCO)CC(CCCCO)CCO

IUPAC InChI

InChI=1S/C11H24O3/c12-8-3-1-5-11(7-10-14)6-2-4-9-13/h11-14H,1-10H2

IUPAC InChI key

VICIXNZSEUYGFV-UHFFFAOYSA-N
5HD

wwPDB Information

Atom count

38 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-07-24

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned