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Yorodumi- ChemComp-R1T: 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYET... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: R1T |
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Name | Name: Synonyms: 2-[(1R)-1-HYDROXYETHYL]-3-DEAZA-THDP |
-Chemical information
Composition | Formula: C15H23N3O8P2S / Number of atoms: 52 / Formula weight: 467.371 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: R1T / Ideal coordinates details: Corina V3.40 | ||||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 3 items
PDB-2q5l:
X-ray structure of phenylpyruvate decarboxylase in complex with 2-(1-hydroxyethyl)-3-deaza-ThDP
PDB-2vbg:
The complex structure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis with 2R-1-hydroxyethyl-deazaThDP
PDB-3duf:
Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex