Chemical Components in the PDB

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1DO : Summary

Code

1DO

One-letter code

X

Molecule name

1-DODECANOL

Systematic names

ProgramVersionName
ACDLabs 10.04 dodecan-1-ol
OpenEye OEToolkits 1.5.0 dodecan-1-ol

Formula

C12 H26 O

Formal charge

0

Molecular weight

186.334 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCO
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCO
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCO

IUPAC InChI

InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

IUPAC InChI key

LQZZUXJYWNFBMV-UHFFFAOYSA-N
1DO

wwPDB Information

Atom count

39 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-02-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned