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- ChemComp-HWB: cyanidin -

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Basic information

EntryDatabase: PDB chemical components / ID: HWB
NameName: cyanidin

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Chemical information

Composition
Formula: C15H11O6 / Number of atoms: 32 / Formula weight: 287.244 / Formal charge: 1
Others

6qch

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HWB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QCH
History
Create componentDec 29, 2018
Initial releaseDec 25, 2019
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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

CACTVS 3.385Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3
OpenEye OEToolkits 2.0.6c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3
OpenEye OEToolkits 2.0.6c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1

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InChIKey

InChI 1.03VEVZSMAEJFVWIL-UHFFFAOYSA-O

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PDB entries

Showing all 1 items

PDB-6qch:
Human Sirt6 in complex with ADP-ribose and the activator cyanidin

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