Chemical Components in the PDB

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64Z : Summary

Code

64Z

One-letter code

X

Molecule name

Geraniol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2E)-3,7-dimethylocta-2,6-dien-1-ol
OpenEye OEToolkits 2.0.4 (2~{E})-3,7-dimethylocta-2,6-dien-1-ol

Formula

C10 H18 O

Formal charge

0

Molecular weight

154.249 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=C/CC\C(=C\CO)C)(\C)C
SMILES CACTVS 3.385 CC(C)=CCCC(C)=CCO
SMILES OpenEye OEToolkits 2.0.4 CC(=CCCC(=CCO)C)C
Canonical SMILES CACTVS 3.385 CC(C)=CCC\C(C)=C\CO
Canonical SMILES OpenEye OEToolkits 2.0.4 CC(=CCC/C(=C/CO)/C)C

IUPAC InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+

IUPAC InChI key

GLZPCOQZEFWAFX-JXMROGBWSA-N
64Z

wwPDB Information

Atom count

29 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-01-26

Last modified at

2016-04-22

Status

Released

Obsoleted

Not Assigned