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- ChemComp-T3A: N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: T3A
NameName: N-(tris(hydroxymethyl)methyl)-3-aminopropanesulfonic acid
CommentpH buffer*YM

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Chemical information

Composition
Formula: C7H17NO6S / Number of atoms: 32 / Formula weight: 243.278 / Formal charge: 0
Others

1zdy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: T3A / Model coordinates PDB-ID: 1ZDY
History
Create componentMay 11, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChemicalBook / CompTox / 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)CCCNC(CO)(CO)CO
CACTVS 3.341OCC(CO)(CO)NCCC[S](O)(=O)=O
OpenEye OEToolkits 1.5.0C(CNC(CO)(CO)CO)CS(=O)(=O)O

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SMILES CANONICAL

CACTVS 3.341OCC(CO)(CO)NCCC[S](O)(=O)=O
OpenEye OEToolkits 1.5.0C(CNC(CO)(CO)CO)CS(=O)(=O)O

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InChI

InChI 1.03InChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14)

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InChIKey

InChI 1.03YNLCVAQJIKOXER-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}propane-1-sulfonic acid
OpenEye OEToolkits 1.5.03-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propane-1-sulfonic acid

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PDB entries

Showing all 5 items

PDB-1zdy:
Co-crystal structure of Orf2 an aromatic prenyl transferase from Streptomyces sp. strain CL190 complexed with TAPS

PDB-2r45:
Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with 2-phospho-d-glyceric acid

PDB-2r46:
Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with 2-phosphopyruvic acid.

PDB-2r4e:
Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with DHAP

PDB-6cig:
CRYSTAL STRUCTURE ANALYSIS OF SELENOMETHIONINE SUBSTITUTED ISOFLAVONE O-METHYLTRANSFERASE

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