|
Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.
1DO : Summary
Code
|
1DO
|
One-letter code
|
X
|
Molecule name
|
1-DODECANOL
|
Systematic names
|
|
Formula
|
C12 H26 O
|
Formal charge
|
0
|
Molecular weight
|
186.334 Da
|
SMILES
|
Type | Program | Version | Descriptor |
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 |
|
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
|
|