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Yorodumi- ChemComp-ZER: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-ben... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ZER | ||||
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Name | Name: ( Synonyms: Zearalenone Wikipedia | Wikipedia - Zearalenone: Zearalenone , also known as RAL and F-2 mycotoxin, is a potent estrogenic metabolite produced by some Fusarium and Gibberella species. Specifically, the Gibberella zeae, the fungal species where zearalenone was initially detected, in its asexual/anamorph stage is known as Fusarium graminearum. Several Fusarium species produce toxic substances of considerable concern to livestock and poultry producers, namely deoxynivalenol, T-2 toxin, HT-2 toxin, diacetoxyscirpenol (DAS) and zearalenone... | Comment | toxin*YM | |
-Chemical information
Composition | Formula: C18H22O5 / Number of atoms: 45 / Formula weight: 318.364 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZER / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WZM | ||||||
History |
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External links | BindingDB / Brenda / UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.6 | ( | |
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-PDB entries
Showing all 6 items
PDB-3wzm:
ZEN lactonase mutant complex
PDB-5krc:
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Zearalenone
PDB-5xo8:
Crystal structure of a novel ZEN lactonase mutant with ligand Z
PDB-5z97:
Crystal structure of a lactonase double mutant in complex with ligand N
PDB-6jqz:
ZHD/H242A complex with ZEN
PDB-6jr9:
ZHD/W183F complex with ZEN