Chemical Components in the PDB

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ODM : Summary

Code

ODM

One-letter code

X

Molecule name

(3R)-3,7-dimethyloct-6-en-1-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 (3R)-3,7-dimethyloct-6-en-1-ol
OpenEye OEToolkits 2.0.7 (3~{R})-3,7-dimethyloct-6-en-1-ol

Formula

C10 H20 O

Formal charge

0

Molecular weight

156.265 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C/C(C)=C/CCC(C)CCO
SMILES CACTVS 3.385 C[CH](CCO)CCC=C(C)C
SMILES OpenEye OEToolkits 2.0.7 CC(CCC=C(C)C)CCO
Canonical SMILES CACTVS 3.385 C[C@@H](CCO)CCC=C(C)C
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](CCC=C(C)C)CCO

IUPAC InChI

InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1

IUPAC InChI key

QMVPMAAFGQKVCJ-SNVBAGLBSA-N
ODM

wwPDB Information

Atom count

31 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-06-21

Last modified at

2020-06-19

Status

Released

Obsoleted

Not Assigned