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Yorodumi- ChemComp-ISC: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ISC |
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Name | Name: ( Synonyms: ISOCHORISMIC ACID |
-Chemical information
Composition | Formula: C10H10O6 / Number of atoms: 26 / Formula weight: 226.183 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ISC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1NF8 | ||||||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | ( | |
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