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- ChemComp-DTL: L-TREITOL -

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Basic information

EntryDatabase: PDB chemical components / ID: DTL
NameName: L-treitol

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Chemical information

Composition
Formula: C4H10O4 / Number of atoms: 18 / Formula weight: 122.12 / Formal charge: 0
Others

1h16

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DTL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1H16
History
Create componentJul 3, 2002
Modify descriptorJun 4, 2011
Modify nameJun 1, 2015
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / DrugBank / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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 12.01C(C(C(CO)O)O)O
CACTVS 3.385OC[CH](O)[CH](O)CO
OpenEye OEToolkits 1.7.6C(C(C(CO)O)O)O

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SMILES CANONICAL

CACTVS 3.385OC[C@H](O)[C@@H](O)CO
OpenEye OEToolkits 1.7.6C([C@@H]([C@H](CO)O)O)O

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InChI

InChI 1.03InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1

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InChIKey

InChI 1.03UNXHWFMMPAWVPI-IMJSIDKUSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S,3S)-butane-1,2,3,4-tetrol
OpenEye OEToolkits 1.7.6(2S,3S)-butane-1,2,3,4-tetrol

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PDB entries

Showing all 4 items

PDB-1h16:
Pyruvate Formate-Lyase (E.coli) in complex with Pyruvate and CoA

PDB-1h17:
Pyruvate Formate-Lyase (E.coli) in complex with CoA and the substrate analog oxamate

PDB-1h18:
Pyruvate Formate-Lyase (E.coli) in complex with Pyruvate

PDB-2aaw:
Studies on ligand binding and enzyme inhibition of Plasmodium falciparum glutathione S-transferase

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