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- ChemComp-EBR: [(4Z)-4-[[(Z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-m... -

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Basic information

EntryDatabase: PDB chemical components / ID: EBR
NameName: [(4Z)-4-[[(Z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1H-pyridin-3-yl]methyl dihydrogen phosphate

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Chemical information

Composition
Formula: C16H19N2O6P / Number of atoms: 44 / Formula weight: 366.306 / Formal charge: 0
Others

6ldt

Type: non-polymer / PDB classification: HETAIN / Three letter code: EBR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6LDT
History
Create componentDec 6, 2019
Initial releaseDec 2, 2020
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

CACTVS 3.385CC1=C(O)C(=CN=CCc2ccc(O)cc2)C(=CN1)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC1=C(C(=CN=CCc2ccc(cc2)O)C(=CN1)COP(=O)(O)O)O

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SMILES CANONICAL

CACTVS 3.385CC1=C(O)\C(=C/N=CCc2ccc(O)cc2)C(=CN1)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC1=C(/C(=C\N=C/Cc2ccc(cc2)O)/C(=CN1)COP(=O)(O)O)O

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InChI

InChI 1.03InChI=1S/C16H19N2O6P/c1-11-16(20)15(13(8-18-11)10-24-25(21,22)23)9-17-7-6-12-2-4-14(19)5-3-12/h2-5,7-9,18-20H,6,10H2,1H3,(H2,21,22,23)/b15-9-,17-7-

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InChIKey

InChI 1.03DXNWHWZTDLTPAE-VHWRWSQTSA-N

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PDB entries

Showing all 1 items

PDB-6ldt:
K245A mutant of L-tyrosine decarboxylase from Methanocaldococcus jannaschii complexed with a post-decarboxylation quinonoid-like intermediate formed with L-tyrosine

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