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- ChemComp-HDS: 1-HEXADECANOSULFONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: HDS
NameName: 1-hexadecanosulfonic acid

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Chemical information

Composition
Formula: C16H34O3S / Number of atoms: 54 / Formula weight: 306.504 / Formal charge: 0
Others

1lpp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HDS / Model coordinates PDB-ID: 1LPP
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / ChEMBL / CompTox / DrugBank / 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=S(=O)(O)CCCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCS(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCCCC[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCS(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)

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InChIKey

InChI 1.03SSILHZFTFWOUJR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04hexadecane-1-sulfonic acid
OpenEye OEToolkits 1.5.0hexadecane-1-sulfonic acid

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PDB entries

Showing all 6 items

PDB-1exw:
CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1 COMPLEXED WITH HEXADECYLSULFONYL FLUORIDE

PDB-1lic:
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH PALMITATE AND HEXADECANESULFONIC ACID. PROPERTIES OF CAVITY BINDING SITES.

PDB-1lpo:
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE

PDB-1lpp:
ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE

PDB-1qd6:
OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI

PDB-1qz3:
CRYSTAL STRUCTURE OF MUTANT M211S/R215L OF CARBOXYLESTERASE EST2 COMPLEXED WITH HEXADECANESULFONATE

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