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- ChemComp-HXD: (3R)-3-HYDROXYDODECANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: HXD
NameName: (3R)-3-hydroxydodecanoic acid / Synonyms: 3-OH-DODECANOATE

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Chemical information

Composition
Formula: C12H24O3 / Number of atoms: 39 / Formula weight: 216.317 / Formal charge: 0
Others

2ddh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HXD / Model coordinates PDB-ID: 2DDH
History
Create componentJan 31, 2006
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / ChEBI / ChEMBL / CompTox / DrugBank / HMDB / LipidMaps / Metabolights / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)CC(O)CCCCCCCCC
CACTVS 3.341CCCCCCCCC[CH](O)CC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCC(CC(=O)O)O

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCC[C@@H](O)CC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC[C@H](CC(=O)O)O

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03MUCMKTPAZLSKTL-LLVKDONJSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 5 items

PDB-2ddh:
Crystal Structure of Acyl-CoA oxidase complexed with 3-OH-dodecanoate

PDB-3d29:
Proteasome Inhibition by Fellutamide B

PDB-3krd:
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with Fellutamide B

PDB-4wx0:
UndA complexed with beta-hydroxydodecanoic acid

PDB-8j18:
Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex

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