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- ChemComp-ESA: ETHANESULFONIC ACID -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: ESA
NameName: ethanesulfonic acid

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Chemical information

Composition
Formula: C2H6O3S / Number of atoms: 12 / Formula weight: 110.132 / Formal charge: 0
Others

1f9p

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ESA / Model coordinates PDB-ID: 1F9P
History
Create componentJul 18, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / DrugBank / HMDB / NMRShiftDB / 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)CC
CACTVS 3.341CC[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CCS(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.341CC[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CCS(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)

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InChIKey

InChI 1.03CCIVGXIOQKPBKL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04ethanesulfonic acid
OpenEye OEToolkits 1.5.0ethanesulfonic acid

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PDB entries

Showing all 5 items

PDB-1f9p:
CRYSTAL STRUCTURE OF CONNECTIVE TISSUE ACTIVATING PEPTIDE-III(CTAP-III) COMPLEXED WITH POLYVINYLSULFONIC ACID

PDB-1rdf:
G50P mutant of phosphonoacetaldehyde hydrolase in complex with substrate analogue vinyl sulfonate

PDB-2h0y:
Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to sulbactam

PDB-6j5s:
Crystal structure of human HINT1 mutant complexing with AP5A

PDB-6j5z:
Crystal structure of human HINT1 mutant complexing with AP3A

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