Chemical Components in the PDB

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12H : Summary

Code

12H

One-letter code

X

Molecule name

12-HYDROXYDODECANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 12-hydroxydodecanoic acid
OpenEye OEToolkits 1.5.0 12-hydroxydodecanoic acid

Formula

C12 H24 O3

Formal charge

0

Molecular weight

216.317 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCCCCCCCCO
SMILES CACTVS 3.341 OCCCCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CCCCCC(=O)O)CCCCCO
Canonical SMILES CACTVS 3.341 OCCCCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCCCCC(=O)O)CCCCCO

IUPAC InChI

InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)

IUPAC InChI key

ZDHCZVWCTKTBRY-UHFFFAOYSA-N
12H

wwPDB Information

Atom count

39 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-07-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned