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- ChemComp-SAT: sulfoacetic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: SAT
NameName: sulfoacetic acid

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Chemical information

Composition
Formula: C2H4O5S / Number of atoms: 12 / Formula weight: 140.115 / Formal charge: 0
Others

2rke

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SAT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2RKE
History
Create componentOct 18, 2007
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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)CS(=O)(=O)O
CACTVS 3.341OC(=O)C[S](O)(=O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)S(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)C[S](O)(=O)=O
OpenEye OEToolkits 1.5.0C(C(=O)O)S(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)

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InChIKey

InChI 1.03AGGIJOLULBJGTQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04sulfoacetic acid
OpenEye OEToolkits 1.5.02-sulfoethanoic acid

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PDB entries

Showing all 4 items

PDB-2rke:
The Structure of rat cytosolic PEPCK in complex with sulfoacetate.

PDB-3ciw:
X-RAY structure of the [FeFe]-hydrogenase maturase HydE from thermotoga maritima

PDB-3cix:
X-RAY structure of the [FeFe]-hydrogenase maturase HydE from thermotoga maritima in complex with thiocyanate

PDB-7aa7:
Structure of SCOC pS12/pS18 LIR motif bound to GABARAPL1

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