Chemical Components in the PDB

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HXD : Summary

Code

HXD

One-letter code

X

Molecule name

(3R)-3-HYDROXYDODECANOIC ACID

Synonyms

3-OH-DODECANOATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3R)-3-hydroxydodecanoic acid
OpenEye OEToolkits 1.5.0 (3R)-3-hydroxydodecanoic acid

Formula

C12 H24 O3

Formal charge

0

Molecular weight

216.317 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CC(O)CCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCC[CH](O)CC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCC(CC(=O)O)O
Canonical SMILES CACTVS 3.341 CCCCCCCCC[C@@H](O)CC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCC[C@H](CC(=O)O)O

IUPAC InChI

InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1

IUPAC InChI key

MUCMKTPAZLSKTL-LLVKDONJSA-N
HXD

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

2006-01-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned